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

C15H12ClFO4 — CID 103037706

IUPAC2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClFO4/c1-20-10-3-4-11(15(18)19)14(7-10)21-8-9-2-5-13(17)12(16)6-9/h2-7H,8H2,1H3,(H,18,19)
InChIKeyHXRJIIBSSTUTCT-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.76
Rot. Bonds5

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

2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid (PubChem CID 103037706) has the molecular formula C15H12ClFO4 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid
PubChem CID103037706
Molecular FormulaC15H12ClFO4
Molecular Weight310.71 g/mol
Exact Mass310.04
IUPAC Name2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClFO4/c1-20-10-3-4-11(15(18)19)14(7-10)21-8-9-2-5-13(17)12(16)6-9/h2-7H,8H2,1H3,(H,18,19)
InChIKeyHXRJIIBSSTUTCT-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-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875975
1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 103037822
2-[(3-bromo-4-methoxyphenyl)methoxy]-4-chlorobenzoic acid
CID 45286799
2-[(3-bromo-4-fluorophenyl)methoxy]-4-methylbenzoic acid
CID 61037590
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211
2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid (CID 103037706) is 2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(OCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid?
The InChIKey is HXRJIIBSSTUTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO4/c1-20-10-3-4-11(15(18)19)14(7-10)21-8-9-2-5-13(17)12(16)6-9/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid?
2-[(3-chloro-4-fluorophenyl)methoxy]-4-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-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid is sourced from PubChem (CID 103037706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).