3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid

C15H12ClFO4 — CID 8707053

IUPAC3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C15H12ClFO4/c1-20-13-7-10(15(18)19)6-11(16)14(13)21-8-9-4-2-3-5-12(9)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyUBQCBWVNIYMLNW-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.76
Rot. Bonds5

About 3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid

3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid (PubChem CID 8707053) has the molecular formula C15H12ClFO4 and a molecular weight of 310.71 g/mol. Its IUPAC name is 3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
PubChem CID8707053
Molecular FormulaC15H12ClFO4
Molecular Weight310.71 g/mol
Exact Mass310.04
IUPAC Name3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C15H12ClFO4/c1-20-13-7-10(15(18)19)6-11(16)14(13)21-8-9-4-2-3-5-12(9)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyUBQCBWVNIYMLNW-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

3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzenecarbothioamide
CID 20989280
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 8706920
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 28932941
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707072
3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzoate
CID 8707056
3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzamide
CID 91682781
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288950
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
CID 45400355
2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 63932215
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzoic acid
CID 43646189
3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzoic acid
CID 8707119
prop-2-ynyl 3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzoate
CID 91682729

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid?
The IUPAC name of 3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid (CID 8707053) is 3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid.
What is the SMILES notation for 3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid?
The canonical SMILES for 3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(Cl)c1OCc1ccccc1F.
What is the InChIKey of 3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid?
The InChIKey is UBQCBWVNIYMLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO4/c1-20-13-7-10(15(18)19)6-11(16)14(13)21-8-9-4-2-3-5-12(9)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid?
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic 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-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid is sourced from PubChem (CID 8707053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).