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

C14H18Cl2OS — CID 65138589

IUPAC1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol
SMILESOC(CSC1CCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2OS/c15-13-6-5-10(8-14(13)16)7-11(17)9-18-12-3-1-2-4-12/h5-6,8,11-12,17H,1-4,7,9H2
InChIKeyKUONSAOJYQYRBF-UHFFFAOYSA-N
MW305.27 g/mol
LogP4.57
Rot. Bonds5

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

1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol (PubChem CID 65138589) has the molecular formula C14H18Cl2OS and a molecular weight of 305.27 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol
PubChem CID65138589
Molecular FormulaC14H18Cl2OS
Molecular Weight305.27 g/mol
Exact Mass304.05
IUPAC Name1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol
SMILESOC(CSC1CCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2OS/c15-13-6-5-10(8-14(13)16)7-11(17)9-18-12-3-1-2-4-12/h5-6,8,11-12,17H,1-4,7,9H2
InChIKeyKUONSAOJYQYRBF-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 103039599
1-(4-chlorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 65138542
1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
CID 65138544
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol
CID 65479114
1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol
CID 65130613
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166
[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 107895084
[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane
CID 63531103
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869370

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol (CID 65138589) is 1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol is OC(CSC1CCCC1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol?
The InChIKey is KUONSAOJYQYRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2OS/c15-13-6-5-10(8-14(13)16)7-11(17)9-18-12-3-1-2-4-12/h5-6,8,11-12,17H,1-4,7,9H2.
What are the key properties of 1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol?
1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol has a molecular weight of 305.27 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 65138589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).