(1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane

C15H19Cl — CID 140883960

IUPAC(1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane
SMILESCC(C)[C@@H]1CC[C@@]2(c3ccccc3Cl)CC12
InChIInChI=1S/C15H19Cl/c1-10(2)11-7-8-15(9-13(11)15)12-5-3-4-6-14(12)16/h3-6,10-11,13H,7-9H2,1-2H3/t11-,13?,15-/m0/s1
InChIKeyYRAICNHCIOFMEI-BJLZJLDMSA-N
MW234.77 g/mol
LogP4.66
Rot. Bonds2

About (1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane

(1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane (PubChem CID 140883960) has the molecular formula C15H19Cl and a molecular weight of 234.77 g/mol. Its IUPAC name is (1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane
PubChem CID140883960
Molecular FormulaC15H19Cl
Molecular Weight234.77 g/mol
Exact Mass234.12
IUPAC Name(1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane
SMILESCC(C)[C@@H]1CC[C@@]2(c3ccccc3Cl)CC12
InChIInChI=1S/C15H19Cl/c1-10(2)11-7-8-15(9-13(11)15)12-5-3-4-6-14(12)16/h3-6,10-11,13H,7-9H2,1-2H3/t11-,13?,15-/m0/s1
InChIKeyYRAICNHCIOFMEI-BJLZJLDMSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090612
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CID 66431566
1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 83842824
1-(2-chlorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile
CID 65016876
5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one
CID 84788394
1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene
CID 84721034
1-(2-chlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514342
1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene
CID 116540616
1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane
CID 115063816
1-(2-chlorophenyl)-3-methylcyclohexan-1-amine
CID 61029803
1-(2-chlorophenyl)-3-cyclopropylcyclohexan-1-ol
CID 64625455
4-(2-chlorophenyl)-4-propan-2-ylpiperidine
CID 83897892

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane?
The IUPAC name of (1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane (CID 140883960) is (1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane?
The canonical SMILES for (1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane is CC(C)[C@@H]1CC[C@@]2(c3ccccc3Cl)CC12.
What is the InChIKey of (1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane?
The InChIKey is YRAICNHCIOFMEI-BJLZJLDMSA-N. The full InChI is InChI=1S/C15H19Cl/c1-10(2)11-7-8-15(9-13(11)15)12-5-3-4-6-14(12)16/h3-6,10-11,13H,7-9H2,1-2H3/t11-,13?,15-/m0/s1.
What are the key properties of (1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane?
(1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane has a molecular weight of 234.77 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane is sourced from PubChem (CID 140883960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).