2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid

C10H11ClO3 — CID 106819374

IUPAC2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-6-3-4-7(5-8(6)11)9(14-2)10(12)13/h3-5,9H,1-2H3,(H,12,13)
InChIKeyABLSMEGRXLNTNP-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.42
Rot. Bonds3

About 2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid

2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid (PubChem CID 106819374) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
PubChem CID106819374
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-6-3-4-7(5-8(6)11)9(14-2)10(12)13/h3-5,9H,1-2H3,(H,12,13)
InChIKeyABLSMEGRXLNTNP-UHFFFAOYSA-N
XLogP2.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-2-methoxyacetic acid
CID 83224323
2-(3-chloro-4-methylphenyl)-2-sulfanylacetic acid
CID 172693927
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
methyl 3-(3-chloro-4-methylphenyl)-2,3-dihydroxypropanoate
CID 171863615
2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid
CID 116769331
methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 106818489
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
(3S)-3-acetamido-3-(3-chloro-4-methylphenyl)propanoic acid
CID 106817778
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
CID 67007354
2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide
CID 173431236

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid (CID 106819374) is 2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid is COC(C(=O)O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid?
The InChIKey is ABLSMEGRXLNTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6-3-4-7(5-8(6)11)9(14-2)10(12)13/h3-5,9H,1-2H3,(H,12,13).
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid?
2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid has a molecular weight of 214.65 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid is sourced from PubChem (CID 106819374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).