(2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone

C12H13ClO — CID 130608198

IUPAC(2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone
SMILESCc1ccc(Cl)c(C(=O)C2CC2C)c1
InChIInChI=1S/C12H13ClO/c1-7-3-4-11(13)10(5-7)12(14)9-6-8(9)2/h3-5,8-9H,6H2,1-2H3
InChIKeyVAXRIKTUEDZLGM-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.49
Rot. Bonds2

About (2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone

(2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone (PubChem CID 130608198) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is (2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone
PubChem CID130608198
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name(2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone
SMILESCc1ccc(Cl)c(C(=O)C2CC2C)c1
InChIInChI=1S/C12H13ClO/c1-7-3-4-11(13)10(5-7)12(14)9-6-8(9)2/h3-5,8-9H,6H2,1-2H3
InChIKeyVAXRIKTUEDZLGM-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylcyclopropyl)-(3-methylphenyl)methanone
CID 65420816
(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone
CID 43162240
1-(2-chloro-5-methylphenyl)ethanone;cyclopropanecarbonitrile
CID 145234656
2-(2,4-dimethylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918498
(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
CID 43159909
2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391912
(1R,6S)-6-(2,5-dimethylbenzoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 770036
2-amino-1-(2-chloro-5-methylphenyl)ethanone
CID 83696787
2-(2-hydroxy-5-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 4125993
(1-aminocyclobutyl)-(2-chloro-5-methylphenyl)methanone
CID 130631204
(5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone
CID 102763100
2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone
CID 130136780

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone?
The IUPAC name of (2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone (CID 130608198) is (2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone.
What is the SMILES notation for (2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone?
The canonical SMILES for (2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone is Cc1ccc(Cl)c(C(=O)C2CC2C)c1.
What is the InChIKey of (2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone?
The InChIKey is VAXRIKTUEDZLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-7-3-4-11(13)10(5-7)12(14)9-6-8(9)2/h3-5,8-9H,6H2,1-2H3.
What are the key properties of (2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone?
(2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone has a molecular weight of 208.69 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 130608198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).