1,3-dimethyl 5-({3-[3,5-bis(methoxycarbonyl)phenoxymethyl]-5-hydroxyphenyl}methoxy)benzene-1,3-dicarboxylate

1,3-dimethyl 5-({3-[3,5-bis(methoxycarbonyl)phenoxymethyl]-5-hydroxyphenyl}methoxy)benzene-1,3-dicarboxylate

CAS: 186605-76-5

Formula: C28H26O11

SMILES: COC(=O)C1=CC(=CC(OCC2=CC(COC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)=CC(O)=C2)=C1)C(=O)OC

IUPAC: 1,3-dimethyl 5-[(3-{[3,5-bis(methoxycarbonyl)phenoxy]methyl}-5-hydroxyphenyl)methoxy]benzene-1,3-dicarboxylate

InChI: InChI=1S/C28H26O11/c1-34-25(30)18-8-19(26(31)35-2)11-23(10-18)38-14-16-5-17(7-22(29)6-16)15-39-24-12-20(27(32)36-3)9-21(13-24)28(33)37-4/h5-13,29H,14-15H2,1-4H3

Composition: C (62.45%), H (4.87%), O (32.68%)

Molar Mass: 538.505

Atom Count: 65

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	538.147511657
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	USUINPRIDFWVMZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.29
Topological Polar Surface Area	143.89
Polarizability	52.95
Ring Count	3
Rotatable Bond Count	14

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