4-[(4-chlorophenyl)methoxy]-3-ethoxybenzoic acid

4-[(4-chlorophenyl)methoxy]-3-ethoxybenzoic acid

CAS: 401827-45-0

Formula: C16H15ClO4

SMILES: CCOC1=C(OCC2=CC=C(Cl)C=C2)C=CC(=C1)C(O)=O

IUPAC: 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzoic acid

InChI: InChI=1S/C16H15ClO4/c1-2-20-15-9-12(16(18)19)5-8-14(15)21-10-11-3-6-13(17)7-4-11/h3-9H,2,10H2,1H3,(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	BJEHWAGBEXMWEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.41
Topological Polar Surface Area	55.76
Polarizability	31.01
Ring Count	2
Rotatable Bond Count	6

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