(3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone

C12H12Cl2O — CID 126593158

IUPAC(3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone
SMILESCC1C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1C
InChIInChI=1S/C12H12Cl2O/c1-6-7(2)11(6)12(15)8-3-4-9(13)10(14)5-8/h3-7,11H,1-2H3/t6-,7?,11?/m0/s1
InChIKeyYNIUIUGRFJDJEZ-XOQGZYLQSA-N
MW243.13 g/mol
LogP4.08
Rot. Bonds2

About (3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone

(3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone (PubChem CID 126593158) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone
PubChem CID126593158
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name(3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone
SMILESCC1C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1C
InChIInChI=1S/C12H12Cl2O/c1-6-7(2)11(6)12(15)8-3-4-9(13)10(14)5-8/h3-7,11H,1-2H3/t6-,7?,11?/m0/s1
InChIKeyYNIUIUGRFJDJEZ-XOQGZYLQSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dichlorophenyl)-(oxiran-2-yl)methanone
CID 116826504
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
(3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154431
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110292311
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
trans-(1S,2S)-2-(3,4-dichlorobenzoyl)-1-methylcyclopropane-1-carboxylic acid
CID 71766497
1-(3,4-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724058

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone (CID 126593158) is (3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone is CC1C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1C.
What is the InChIKey of (3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone?
The InChIKey is YNIUIUGRFJDJEZ-XOQGZYLQSA-N. The full InChI is InChI=1S/C12H12Cl2O/c1-6-7(2)11(6)12(15)8-3-4-9(13)10(14)5-8/h3-7,11H,1-2H3/t6-,7?,11?/m0/s1.
What are the key properties of (3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone?
(3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone has a molecular weight of 243.13 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone is sourced from PubChem (CID 126593158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).