1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol

C14H18Cl2O — CID 63411016

IUPAC1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)CC1CCCC1
InChIInChI=1S/C14H18Cl2O/c15-13-6-5-11(9-14(13)16)8-12(17)7-10-3-1-2-4-10/h5-6,9-10,12,17H,1-4,7-8H2
InChIKeyODASMGUBOUAHDV-UHFFFAOYSA-N
MW273.20 g/mol
LogP4.48
Rot. Bonds4

About 1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol

1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol (PubChem CID 63411016) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
PubChem CID63411016
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)CC1CCCC1
InChIInChI=1S/C14H18Cl2O/c15-13-6-5-11(9-14(13)16)8-12(17)7-10-3-1-2-4-10/h5-6,9-10,12,17H,1-4,7-8H2
InChIKeyODASMGUBOUAHDV-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
CID 65457870
1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 65138589
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane
CID 63531103
1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
1-cyclopentyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 62607509
1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene
CID 63529747
1,2-dichloro-4-(2-cyclopentylethyl)benzene
CID 67484216
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
CID 62605827

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol (CID 63411016) is 1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol is OC(Cc1ccc(Cl)c(Cl)c1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol?
The InChIKey is ODASMGUBOUAHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c15-13-6-5-11(9-14(13)16)8-12(17)7-10-3-1-2-4-10/h5-6,9-10,12,17H,1-4,7-8H2.
What are the key properties of 1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol?
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol has a molecular weight of 273.20 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 63411016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).