2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid

C12H13ClO3 — CID 82477382

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C)c(C2CC2C(=O)O)cc1Cl
InChIInChI=1S/C12H13ClO3/c1-6-3-11(16-2)10(13)5-7(6)8-4-9(8)12(14)15/h3,5,8-9H,4H2,1-2H3,(H,14,15)
InChIKeySUJWCAPBAAJNNW-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.85
Rot. Bonds3

About 2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid

2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 82477382) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID82477382
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C)c(C2CC2C(=O)O)cc1Cl
InChIInChI=1S/C12H13ClO3/c1-6-3-11(16-2)10(13)5-7(6)8-4-9(8)12(14)15/h3,5,8-9H,4H2,1-2H3,(H,14,15)
InChIKeySUJWCAPBAAJNNW-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464
4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
CID 82626536
2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 53275991
2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane
CID 116863456
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 116962934
2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
CID 82296774
2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 68636272
2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
trans-(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299452
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid (CID 82477382) is 2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid is COc1cc(C)c(C2CC2C(=O)O)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is SUJWCAPBAAJNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-6-3-11(16-2)10(13)5-7(6)8-4-9(8)12(14)15/h3,5,8-9H,4H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid?
2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 240.69 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82477382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).