methyl 4-hydroxy-3-[(1R)-3-hydroxy-1-phenylpropyl]benzoate

methyl 4-hydroxy-3-[(1R)-3-hydroxy-1-phenylpropyl]benzoate

CAS: 1292905-33-9

Formula: C17H18O4

SMILES: COC(=O)C1=CC=C(O)C(=C1)[C@H](CCO)C1=CC=CC=C1

IUPAC: methyl 4-hydroxy-3-[(1R)-3-hydroxy-1-phenylpropyl]benzoate

InChI: InChI=1S/C17H18O4/c1-21-17(20)13-7-8-16(19)15(11-13)14(9-10-18)12-5-3-2-4-6-12/h2-8,11,14,18-19H,9-10H2,1H3/t14-/m1/s1

Composition: C (71.31%), H (6.34%), O (22.35%)

Molar Mass: 286.327

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	286.12050906
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MWYMQEBIZZHNHO-CQSZACIVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.88
Topological Polar Surface Area	66.76
Polarizability	31.01
Ring Count	2
Rotatable Bond Count	6

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