3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone

C13H13ClO — CID 114964124

IUPAC3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CC2CC2C1
InChIInChI=1S/C13H13ClO/c14-12-3-1-2-8(7-12)13(15)11-5-9-4-10(9)6-11/h1-3,7,9-11H,4-6H2
InChIKeyYCVOQRXPCACTGD-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.57
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone

3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone (PubChem CID 114964124) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone
PubChem CID114964124
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CC2CC2C1
InChIInChI=1S/C13H13ClO/c14-12-3-1-2-8(7-12)13(15)11-5-9-4-10(9)6-11/h1-3,7,9-11H,4-6H2
InChIKeyYCVOQRXPCACTGD-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone
CID 105082691
3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone
CID 115814566
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
(3-chlorophenyl)-(oxan-3-yl)methanone
CID 65332391
3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone
CID 114963326
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890
2-(3-chlorobenzoyl)indene-1,3-dione
CID 22648334
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
(3-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181358
2-chloro-1-(3-chlorophenyl)prop-2-en-1-one
CID 23626689
(3-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79912670

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone (CID 114964124) is 3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone?
The InChIKey is YCVOQRXPCACTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO/c14-12-3-1-2-8(7-12)13(15)11-5-9-4-10(9)6-11/h1-3,7,9-11H,4-6H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone?
3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone has a molecular weight of 220.70 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone is sourced from PubChem (CID 114964124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).