3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid

C15H12Cl2O3 — CID 45400355

IUPAC3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccccc1COc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C15H12Cl2O3/c1-9-4-2-3-5-10(9)8-20-14-12(16)6-11(15(18)19)7-13(14)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyRATDOXPSOBFEST-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.58
Rot. Bonds4

About 3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid

3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid (PubChem CID 45400355) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
PubChem CID45400355
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccccc1COc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C15H12Cl2O3/c1-9-4-2-3-5-10(9)8-20-14-12(16)6-11(15(18)19)7-13(14)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyRATDOXPSOBFEST-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

3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 91682780
N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 132591340
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
ethyl 3-bromo-5-chloro-4-[(2-methylphenyl)methoxy]benzoate
CID 91685998
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053
3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzoic acid
CID 8707119
ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate
CID 91682734
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 28932941
4-bromo-3-[(2-methylphenyl)methoxy]benzoic acid
CID 114103815
3,5-dichloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771268
3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzamide
CID 91682781
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid (CID 45400355) is 3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid is Cc1ccccc1COc1c(Cl)cc(C(=O)O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid?
The InChIKey is RATDOXPSOBFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-9-4-2-3-5-10(9)8-20-14-12(16)6-11(15(18)19)7-13(14)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid?
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic 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 3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 45400355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).