methyl 2-[2-(4-hydroxyphenyl)ethyl]-6-methoxybenzoate

methyl 2-[2-(4-hydroxyphenyl)ethyl]-6-methoxybenzoate

CAS: 65819-12-7

Formula: C17H18O4

SMILES: COC(=O)C1=C(CCC2=CC=C(O)C=C2)C=CC=C1OC

IUPAC: methyl 2-[2-(4-hydroxyphenyl)ethyl]-6-methoxybenzoate

InChI: InChI=1S/C17H18O4/c1-20-15-5-3-4-13(16(15)17(19)21-2)9-6-12-7-10-14(18)11-8-12/h3-5,7-8,10-11,18H,6,9H2,1-2H3

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	0
Exact Mass	286.12050906
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IHMBUDQBHDOIDD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.87
Topological Polar Surface Area	55.76
Polarizability	30.99
Ring Count	2
Rotatable Bond Count	6

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