5-(benzyloxy)-4-methoxy-2-methylbenzoic acid

5-(benzyloxy)-4-methoxy-2-methylbenzoic acid

CAS: 883846-97-7

Formula: C16H16O4

SMILES: COC1=C(OCC2=CC=CC=C2)C=C(C(O)=O)C(C)=C1

IUPAC: 5-(benzyloxy)-4-methoxy-2-methylbenzoic acid

InChI: InChI=1S/C16H16O4/c1-11-8-14(19-2)15(9-13(11)16(17)18)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,18)

Composition: C (70.58%), H (5.92%), O (23.50%)

Molar Mass: 272.3

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	272.104858995
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YOLDMYUUZLLBDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.89
Topological Polar Surface Area	55.76
Polarizability	29.04
Ring Count	2
Rotatable Bond Count	5

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