3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid

C15H12ClFO4 — CID 60651653

IUPAC3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1ccc(COc2ccc(C(=O)O)cc2Cl)cc1F
InChIInChI=1S/C15H12ClFO4/c1-20-14-4-2-9(6-12(14)17)8-21-13-5-3-10(15(18)19)7-11(13)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyVNTQMERNPTZEOM-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.76
Rot. Bonds5

About 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid

3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid (PubChem CID 60651653) has the molecular formula C15H12ClFO4 and a molecular weight of 310.71 g/mol. Its IUPAC name is 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid
PubChem CID60651653
Molecular FormulaC15H12ClFO4
Molecular Weight310.71 g/mol
Exact Mass310.04
IUPAC Name3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1ccc(COc2ccc(C(=O)O)cc2Cl)cc1F
InChIInChI=1S/C15H12ClFO4/c1-20-14-4-2-9(6-12(14)17)8-21-13-5-3-10(15(18)19)7-11(13)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyVNTQMERNPTZEOM-UHFFFAOYSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363
3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 114847654
3-chloro-4-(3-fluoro-4-methoxyphenyl)benzoic acid
CID 81308426
3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
CID 28604689
[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
CID 7717780
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
CID 45397817
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 8706920
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid (CID 60651653) is 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid is COc1ccc(COc2ccc(C(=O)O)cc2Cl)cc1F.
What is the InChIKey of 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The InChIKey is VNTQMERNPTZEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO4/c1-20-14-4-2-9(6-12(14)17)8-21-13-5-3-10(15(18)19)7-11(13)16/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid has a molecular weight of 310.71 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 60651653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).