2-(3-chlorophenoxy)-4-methylbenzoic acid

C14H11ClO3 — CID 55107381

IUPAC2-(3-chlorophenoxy)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClO3/c1-9-5-6-12(14(16)17)13(7-9)18-11-4-2-3-10(15)8-11/h2-8H,1H3,(H,16,17)
InChIKeyLXZWMSHYUDLRFE-UHFFFAOYSA-N
MW262.69 g/mol
LogP4.14
Rot. Bonds3

About 2-(3-chlorophenoxy)-4-methylbenzoic acid

2-(3-chlorophenoxy)-4-methylbenzoic acid (PubChem CID 55107381) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-4-methylbenzoic acid
PubChem CID55107381
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name2-(3-chlorophenoxy)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClO3/c1-9-5-6-12(14(16)17)13(7-9)18-11-4-2-3-10(15)8-11/h2-8H,1H3,(H,16,17)
InChIKeyLXZWMSHYUDLRFE-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-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
2-(3-ethylphenoxy)-4-methylbenzoic acid
CID 63513493
1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
CID 170985153
4-bromo-2-(3-methylphenoxy)benzoic acid
CID 43364853
4-fluoro-2-(3-methylphenoxy)benzoic acid
CID 22408591
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-(3-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 62944909
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63515238
2-bromo-4-(2-chloro-5-methylphenoxy)benzoic acid
CID 107282496
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
CID 63513502
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
CID 107282511
2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid
CID 62496708

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-4-methylbenzoic acid?
The IUPAC name of 2-(3-chlorophenoxy)-4-methylbenzoic acid (CID 55107381) is 2-(3-chlorophenoxy)-4-methylbenzoic acid.
What is the SMILES notation for 2-(3-chlorophenoxy)-4-methylbenzoic acid?
The canonical SMILES for 2-(3-chlorophenoxy)-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-4-methylbenzoic acid?
The InChIKey is LXZWMSHYUDLRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-9-5-6-12(14(16)17)13(7-9)18-11-4-2-3-10(15)8-11/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(3-chlorophenoxy)-4-methylbenzoic acid?
2-(3-chlorophenoxy)-4-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-(3-chlorophenoxy)-4-methylbenzoic acid is sourced from PubChem (CID 55107381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).