2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid

C11H13ClO3 — CID 59030239

IUPAC2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid
SMILESCCOc1cc(C)cc(Cl)c1CC(=O)O
InChIInChI=1S/C11H13ClO3/c1-3-15-10-5-7(2)4-9(12)8(10)6-11(13)14/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyJGZBAZCBSAIVAT-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.67
Rot. Bonds4

About 2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid

2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid (PubChem CID 59030239) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid
PubChem CID59030239
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid
SMILESCCOc1cc(C)cc(Cl)c1CC(=O)O
InChIInChI=1S/C11H13ClO3/c1-3-15-10-5-7(2)4-9(12)8(10)6-11(13)14/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyJGZBAZCBSAIVAT-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid
CID 67171574
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
2-(2,4-dichloro-6-propoxyphenyl)acetic acid
CID 82554118
1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
CID 84782491
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid
CID 18444736
2-ethoxy-4,6-dimethylbenzoic acid
CID 22956565
2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
CID 18444799
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid?
The IUPAC name of 2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid (CID 59030239) is 2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid is CCOc1cc(C)cc(Cl)c1CC(=O)O.
What is the InChIKey of 2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid?
The InChIKey is JGZBAZCBSAIVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-3-15-10-5-7(2)4-9(12)8(10)6-11(13)14/h4-5H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid?
2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid has a molecular weight of 228.67 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid is sourced from PubChem (CID 59030239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).