1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid

C13H15ClO2 — CID 83842824

IUPAC1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1CC1(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H15ClO2/c1-8(2)10-7-13(10,12(15)16)9-5-3-4-6-11(9)14/h3-6,8,10H,7H2,1-2H3,(H,15,16)
InChIKeyBGTFFGKCXIHIFU-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.34
Rot. Bonds3

About 1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid

1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 83842824) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID83842824
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1CC1(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H15ClO2/c1-8(2)10-7-13(10,12(15)16)9-5-3-4-6-11(9)14/h3-6,8,10H,7H2,1-2H3,(H,15,16)
InChIKeyBGTFFGKCXIHIFU-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid
CID 65003856
trans-methyl (1S,2S)-1-(2-chlorophenyl)-2-(methylaminomethyl)cyclopropane-1-carboxylate
CID 71464945
2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylic acid
CID 83483787
(E)-but-2-enedioic acid;methyl 1-(2-chlorophenyl)-2-(methylaminomethyl)cyclopropane-1-carboxylate
CID 70980846
1-(2-chlorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile
CID 65016876
(2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one
CID 137472240
(1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane
CID 140883960
(1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479068
1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090612
7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 105479978
1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid
CID 115042902
4-(2-chlorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681779

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 83842824) is 1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is CC(C)C1CC1(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is BGTFFGKCXIHIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-8(2)10-7-13(10,12(15)16)9-5-3-4-6-11(9)14/h3-6,8,10H,7H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 238.71 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83842824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).