methyl 5-[4-(2-phenylpropan-2-yl)phenoxymethyl]furan-2-carboxylate

methyl 5-[4-(2-phenylpropan-2-yl)phenoxymethyl]furan-2-carboxylate

CAS: 832740-52-0

Formula: C22H22O4

SMILES: COC(=O)C1=CC=C(COC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)O1

IUPAC: methyl 5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}furan-2-carboxylate

InChI: InChI=1S/C22H22O4/c1-22(2,16-7-5-4-6-8-16)17-9-11-18(12-10-17)25-15-19-13-14-20(26-19)21(23)24-3/h4-14H,15H2,1-3H3

Composition: C (75.41%), H (6.33%), O (18.26%)

Molar Mass: 350.414

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	350.151809188
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MJFPWKZIMHXYCR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	110.68
Topological Polar Surface Area	48.67
Polarizability	38.76
Ring Count	3
Rotatable Bond Count	7

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