2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid

C15H12Cl2O3 — CID 63463861

IUPAC2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-9-3-2-4-11(15(18)19)14(9)20-8-10-5-6-12(16)13(17)7-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLFRLEUWXSCFIOJ-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.58
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid

2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid (PubChem CID 63463861) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
PubChem CID63463861
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-9-3-2-4-11(15(18)19)14(9)20-8-10-5-6-12(16)13(17)7-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLFRLEUWXSCFIOJ-UHFFFAOYSA-N
XLogP4.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444
3-methyl-2-[(4-methylsulfanylphenyl)methoxy]benzoic acid
CID 60911050
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
CID 112612027
2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102855411
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
3-methyl-2-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 54929892
3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide
CID 107873411
3-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 103038113
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311939
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2,6-dimethylphenoxy)methyl]phenyl]methanone
CID 19295139
3-chloro-2-(pyridin-4-ylmethoxy)benzoic acid
CID 112612042

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid?
The IUPAC name of 2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid (CID 63463861) is 2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid?
The InChIKey is LFRLEUWXSCFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-9-3-2-4-11(15(18)19)14(9)20-8-10-5-6-12(16)13(17)7-10/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid?
2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid has a molecular weight of 311.16 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid is sourced from PubChem (CID 63463861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).