3-(4-chloro-3-methylphenoxymethyl)-4-methoxybenzoic acid

3-(4-chloro-3-methylphenoxymethyl)-4-methoxybenzoic acid

CAS: 438218-99-6

Formula: C16H15ClO4

SMILES: COC1=CC=C(C=C1COC1=CC=C(Cl)C(C)=C1)C(O)=O

IUPAC: 3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzoic acid

InChI: InChI=1S/C16H15ClO4/c1-10-7-13(4-5-14(10)17)21-9-12-8-11(16(18)19)3-6-15(12)20-2/h3-8H,9H2,1-2H3,(H,18,19)

Composition: C (62.65%), H (4.93%), Cl (11.56%), O (20.86%)

Molar Mass: 306.74

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	306.0658867
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VLPQYVCWRMLLEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.7
Topological Polar Surface Area	55.76
Polarizability	30.93
Ring Count	2
Rotatable Bond Count	5

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