(2-chloro-3-phenylcyclohexen-1-yl)benzene

C18H17Cl — CID 14737119

IUPAC(2-chloro-3-phenylcyclohexen-1-yl)benzene
SMILESClC1=C(c2ccccc2)CCCC1c1ccccc1
InChIInChI=1S/C18H17Cl/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyLHGHVVPKXYAINJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP5.60
Rot. Bonds2

About (2-chloro-3-phenylcyclohexen-1-yl)benzene

(2-chloro-3-phenylcyclohexen-1-yl)benzene (PubChem CID 14737119) has the molecular formula C18H17Cl and a molecular weight of 268.79 g/mol. Its IUPAC name is (2-chloro-3-phenylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name(2-chloro-3-phenylcyclohexen-1-yl)benzene
PubChem CID14737119
Molecular FormulaC18H17Cl
Molecular Weight268.79 g/mol
Exact Mass268.10
IUPAC Name(2-chloro-3-phenylcyclohexen-1-yl)benzene
SMILESClC1=C(c2ccccc2)CCCC1c1ccccc1
InChIInChI=1S/C18H17Cl/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyLHGHVVPKXYAINJ-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.79
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene
CID 102421677
(2-chlorocyclohexen-1-yl)benzene
CID 14737118
(1Z)-1,2-diphenylcyclododecene
CID 5378897
(5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene
CID 102517946
(1R)-2-methyl-3-phenylcyclohex-2-en-1-ol
CID 167268356
1-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568385
(NZ)-N-[(2S)-2-phenylcyclohexylidene]hydroxylamine
CID 92524008
(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine
CID 98298121
[(1S)-2-methylidenecyclobutyl]benzene
CID 163933386
(2-bromocyclopenten-1-yl)benzene
CID 22917403
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58075463

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-phenylcyclohexen-1-yl)benzene?
The IUPAC name of (2-chloro-3-phenylcyclohexen-1-yl)benzene (CID 14737119) is (2-chloro-3-phenylcyclohexen-1-yl)benzene.
What is the SMILES notation for (2-chloro-3-phenylcyclohexen-1-yl)benzene?
The canonical SMILES for (2-chloro-3-phenylcyclohexen-1-yl)benzene is ClC1=C(c2ccccc2)CCCC1c1ccccc1.
What is the InChIKey of (2-chloro-3-phenylcyclohexen-1-yl)benzene?
The InChIKey is LHGHVVPKXYAINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2.
What are the key properties of (2-chloro-3-phenylcyclohexen-1-yl)benzene?
(2-chloro-3-phenylcyclohexen-1-yl)benzene has a molecular weight of 268.79 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-phenylcyclohexen-1-yl)benzene is sourced from PubChem (CID 14737119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).