2-(4-chlorophenoxy)-6-methylbenzoic acid

C14H11ClO3 — CID 53418754

IUPAC2-(4-chlorophenoxy)-6-methylbenzoic acid
SMILESCc1cccc(Oc2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C14H11ClO3/c1-9-3-2-4-12(13(9)14(16)17)18-11-7-5-10(15)6-8-11/h2-8H,1H3,(H,16,17)
InChIKeyCNFZNRMPZIBZHT-UHFFFAOYSA-N
MW262.69 g/mol
LogP4.14
Rot. Bonds3

About 2-(4-chlorophenoxy)-6-methylbenzoic acid

2-(4-chlorophenoxy)-6-methylbenzoic acid (PubChem CID 53418754) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-6-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-6-methylbenzoic acid
PubChem CID53418754
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name2-(4-chlorophenoxy)-6-methylbenzoic acid
SMILESCc1cccc(Oc2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C14H11ClO3/c1-9-3-2-4-12(13(9)14(16)17)18-11-7-5-10(15)6-8-11/h2-8H,1H3,(H,16,17)
InChIKeyCNFZNRMPZIBZHT-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethynoxy-6-methylbenzoic acid
CID 174180001
4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
2-bromo-6-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114888683
4-[3-(4-chlorophenoxy)-2-methylphenoxy]butanoic acid
CID 175360450
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
CID 79510931
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59755388
2-[3-(4-chlorophenyl)propylimino]-3-[2-methyl-6-(4-methylphenoxy)phenyl]-3-oxopropanamide
CID 162356692
2-(4-butan-2-ylphenoxy)-6-chlorobenzoic acid
CID 107665757
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)benzoic acid
CID 114888598
2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid
CID 83214998
2-iodo-6-phenoxybenzoic acid
CID 139966933
2-fluoro-6-methylbenzoic acid
CID 13478132

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-6-methylbenzoic acid?
The IUPAC name of 2-(4-chlorophenoxy)-6-methylbenzoic acid (CID 53418754) is 2-(4-chlorophenoxy)-6-methylbenzoic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-6-methylbenzoic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-6-methylbenzoic acid is Cc1cccc(Oc2ccc(Cl)cc2)c1C(=O)O.
What is the InChIKey of 2-(4-chlorophenoxy)-6-methylbenzoic acid?
The InChIKey is CNFZNRMPZIBZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-9-3-2-4-12(13(9)14(16)17)18-11-7-5-10(15)6-8-11/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(4-chlorophenoxy)-6-methylbenzoic acid?
2-(4-chlorophenoxy)-6-methylbenzoic acid has a molecular weight of 262.69 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-6-methylbenzoic acid is sourced from PubChem (CID 53418754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).