3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol

C15H24OS — CID 63427096

IUPAC3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol
SMILESCc1cc(C(O)CCC2CCCCC2)c(C)s1
InChIInChI=1S/C15H24OS/c1-11-10-14(12(2)17-11)15(16)9-8-13-6-4-3-5-7-13/h10,13,15-16H,3-9H2,1-2H3
InChIKeyWWYZHMHMVXAFES-UHFFFAOYSA-N
MW252.42 g/mol
LogP4.76
Rot. Bonds4

About 3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol

3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol (PubChem CID 63427096) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol
PubChem CID63427096
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol
SMILESCc1cc(C(O)CCC2CCCCC2)c(C)s1
InChIInChI=1S/C15H24OS/c1-11-10-14(12(2)17-11)15(16)9-8-13-6-4-3-5-7-13/h10,13,15-16H,3-9H2,1-2H3
InChIKeyWWYZHMHMVXAFES-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol (CID 63427096) is 3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol is Cc1cc(C(O)CCC2CCCCC2)c(C)s1.
What is the InChIKey of 3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol?
The InChIKey is WWYZHMHMVXAFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-11-10-14(12(2)17-11)15(16)9-8-13-6-4-3-5-7-13/h10,13,15-16H,3-9H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol?
3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol has a molecular weight of 252.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 63427096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).