cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid

C12H14O2 — CID 51888152

IUPACcis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc([C@H]2C[C@H]2C(=O)O)cc1C
InChIInChI=1S/C12H14O2/c1-7-3-4-9(5-8(7)2)10-6-11(10)12(13)14/h3-5,10-11H,6H2,1-2H3,(H,13,14)/t10-,11-/m1/s1
InChIKeyFJKGZKQEZYZESI-GHMZBOCLSA-N
MW190.24 g/mol
LogP2.49
Rot. Bonds2

About cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 51888152) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
PubChem CID51888152
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namecis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc([C@H]2C[C@H]2C(=O)O)cc1C
InChIInChI=1S/C12H14O2/c1-7-3-4-9(5-8(7)2)10-6-11(10)12(13)14/h3-5,10-11H,6H2,1-2H3,(H,13,14)/t10-,11-/m1/s1
InChIKeyFJKGZKQEZYZESI-GHMZBOCLSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 146154687
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
1-[4-[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 95588206
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 100843088
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
1-[2-(3-bromo-4-methylphenyl)cyclopropyl]ethanone
CID 105407809
1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
CID 63645174

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid (CID 51888152) is cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid is Cc1ccc([C@H]2C[C@H]2C(=O)O)cc1C.
What is the InChIKey of cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is FJKGZKQEZYZESI-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14O2/c1-7-3-4-9(5-8(7)2)10-6-11(10)12(13)14/h3-5,10-11H,6H2,1-2H3,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51888152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).