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

C15H12ClFO4 — CID 43212951

IUPAC2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
SMILESCOc1ccc(OCc2ccc(F)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C15H12ClFO4/c1-20-11-4-5-14(12(7-11)15(18)19)21-8-9-2-3-10(17)6-13(9)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyMLFLNUZIGWXEAB-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.76
Rot. Bonds5

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

2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid (PubChem CID 43212951) has the molecular formula C15H12ClFO4 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
PubChem CID43212951
Molecular FormulaC15H12ClFO4
Molecular Weight310.71 g/mol
Exact Mass310.04
IUPAC Name2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
SMILESCOc1ccc(OCc2ccc(F)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C15H12ClFO4/c1-20-11-4-5-14(12(7-11)15(18)19)21-8-9-2-3-10(17)6-13(9)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyMLFLNUZIGWXEAB-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

2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
CID 114345678
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002835
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875975
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
CID 46779766
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid (CID 43212951) is 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid is COc1ccc(OCc2ccc(F)cc2Cl)c(C(=O)O)c1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid?
The InChIKey is MLFLNUZIGWXEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO4/c1-20-11-4-5-14(12(7-11)15(18)19)21-8-9-2-3-10(17)6-13(9)16/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid?
2-[(2-chloro-4-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 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid is sourced from PubChem (CID 43212951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).