2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol

C13H17ClO — CID 107003081

IUPAC2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
SMILESCC1(C)CC1C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClO/c1-13(2)8-11(13)12(15)7-9-3-5-10(14)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3
InChIKeyYULHNHOJMMJTFO-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.29
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol

2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol (PubChem CID 107003081) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
PubChem CID107003081
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
SMILESCC1(C)CC1C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClO/c1-13(2)8-11(13)12(15)7-9-3-5-10(14)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3
InChIKeyYULHNHOJMMJTFO-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107005515
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622580
1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-4-chlorobenzene
CID 107003135
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol
CID 103345206
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658825
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol
CID 121456482
1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene
CID 107002676
2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192147
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol (CID 107003081) is 2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol is CC1(C)CC1C(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol?
The InChIKey is YULHNHOJMMJTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-13(2)8-11(13)12(15)7-9-3-5-10(14)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol?
2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol has a molecular weight of 224.73 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol is sourced from PubChem (CID 107003081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).