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

C14H9Cl2FO3 — CID 60651644

IUPAC3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2FO3/c15-11-6-10(17)3-1-9(11)7-20-13-4-2-8(14(18)19)5-12(13)16/h1-6H,7H2,(H,18,19)
InChIKeyRARMHUYPDSQLTQ-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.41
Rot. Bonds4

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

3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid (PubChem CID 60651644) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
PubChem CID60651644
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2FO3/c15-11-6-10(17)3-1-9(11)7-20-13-4-2-8(14(18)19)5-12(13)16/h1-6H,7H2,(H,18,19)
InChIKeyRARMHUYPDSQLTQ-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-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 114847654
3-chloro-4-[(3-chloro-2-fluorophenoxy)methyl]benzoic acid
CID 102670254
prop-2-enyl 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoate
CID 91681936
3-bromo-4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616213
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoic acid
CID 91682258
4-[(2-bromo-4-chlorophenoxy)methyl]-3-chlorobenzoic acid
CID 102670133
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102616154
3-chloro-4-[2-(4-fluorophenoxy)ethoxy]benzoic acid
CID 45418727
5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 62267976
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]benzoic acid
CID 102765413

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid (CID 60651644) is 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid is O=C(O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid?
The InChIKey is RARMHUYPDSQLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c15-11-6-10(17)3-1-9(11)7-20-13-4-2-8(14(18)19)5-12(13)16/h1-6H,7H2,(H,18,19).
What are the key properties of 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid?
3-chloro-4-[(2-chloro-4-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-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 60651644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).