3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid

C14H9Cl2FO3 — CID 114847654

IUPAC3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C14H9Cl2FO3/c15-10-3-1-9(12(17)6-10)7-20-13-4-2-8(14(18)19)5-11(13)16/h1-6H,7H2,(H,18,19)
InChIKeyFRKKWMYIMAVRPJ-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.41
Rot. Bonds4

About 3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid

3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid (PubChem CID 114847654) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
PubChem CID114847654
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C14H9Cl2FO3/c15-10-3-1-9(12(17)6-10)7-20-13-4-2-8(14(18)19)5-11(13)16/h1-6H,7H2,(H,18,19)
InChIKeyFRKKWMYIMAVRPJ-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
4-[(2-bromo-4-chlorophenoxy)methyl]-3-chlorobenzoic acid
CID 102670133
4-[(3-chloro-4-fluorophenoxy)methyl]-3-fluorobenzoic acid
CID 63879027
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850107
3-[(4-chloro-2-methylphenoxy)methyl]-4-fluorobenzoic acid
CID 63531486
3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 43379751
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]benzoic acid
CID 102765413
3-[(4-bromo-2,5-dichlorophenoxy)methyl]-4-fluorobenzoic acid
CID 107654987
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 60651653
3-chloro-4-[(3-chloro-2-fluorophenoxy)methyl]benzoic acid
CID 102670254
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
3-chloro-4-[(2-cyanophenyl)methoxy]benzoic acid
CID 45286796

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid (CID 114847654) is 3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid is O=C(O)c1ccc(OCc2ccc(Cl)cc2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid?
The InChIKey is FRKKWMYIMAVRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c15-10-3-1-9(12(17)6-10)7-20-13-4-2-8(14(18)19)5-11(13)16/h1-6H,7H2,(H,18,19).
What are the key properties of 3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid?
3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid has a molecular weight of 315.13 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 114847654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).