cyclopropyl-(3,4-dichlorophenyl)methanone

C10H8Cl2O — CID 19806646

IUPACcyclopropyl-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C10H8Cl2O/c11-8-4-3-7(5-9(8)12)10(13)6-1-2-6/h3-6H,1-2H2
InChIKeyKDVARTRUFLNVCP-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.59
Rot. Bonds2

About cyclopropyl-(3,4-dichlorophenyl)methanone

cyclopropyl-(3,4-dichlorophenyl)methanone (PubChem CID 19806646) has the molecular formula C10H8Cl2O and a molecular weight of 215.08 g/mol. Its IUPAC name is cyclopropyl-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3,4-dichlorophenyl)methanone
PubChem CID19806646
Molecular FormulaC10H8Cl2O
Molecular Weight215.08 g/mol
Exact Mass214.00
IUPAC Namecyclopropyl-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C10H8Cl2O/c11-8-4-3-7(5-9(8)12)10(13)6-1-2-6/h3-6H,1-2H2
InChIKeyKDVARTRUFLNVCP-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
(3,4-dichlorophenyl)-(oxiran-2-yl)methanone
CID 116826504
(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone
CID 94796993
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
2-chloro-4-(cyclobutanecarbonyl)benzonitrile
CID 138109981
(3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone
CID 126593158
[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-cyclopropylmethanone
CID 75487024
(6-chloro-3-pyridinyl)-cyclopropylmethanone
CID 11550101
1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55980544

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3,4-dichlorophenyl)methanone?
The IUPAC name of cyclopropyl-(3,4-dichlorophenyl)methanone (CID 19806646) is cyclopropyl-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for cyclopropyl-(3,4-dichlorophenyl)methanone?
The canonical SMILES for cyclopropyl-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of cyclopropyl-(3,4-dichlorophenyl)methanone?
The InChIKey is KDVARTRUFLNVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O/c11-8-4-3-7(5-9(8)12)10(13)6-1-2-6/h3-6H,1-2H2.
What are the key properties of cyclopropyl-(3,4-dichlorophenyl)methanone?
cyclopropyl-(3,4-dichlorophenyl)methanone has a molecular weight of 215.08 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 19806646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).