4-phenyl-1-thiophen-3-ylcyclohexan-1-ol

C16H18OS — CID 65099659

IUPAC4-phenyl-1-thiophen-3-ylcyclohexan-1-ol
SMILESOC1(c2ccsc2)CCC(c2ccccc2)CC1
InChIInChI=1S/C16H18OS/c17-16(15-8-11-18-12-15)9-6-14(7-10-16)13-4-2-1-3-5-13/h1-5,8,11-12,14,17H,6-7,9-10H2
InChIKeyJBDHCMGBIRYJPI-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.29
Rot. Bonds2

About 4-phenyl-1-thiophen-3-ylcyclohexan-1-ol

4-phenyl-1-thiophen-3-ylcyclohexan-1-ol (PubChem CID 65099659) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-phenyl-1-thiophen-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-phenyl-1-thiophen-3-ylcyclohexan-1-ol
PubChem CID65099659
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name4-phenyl-1-thiophen-3-ylcyclohexan-1-ol
SMILESOC1(c2ccsc2)CCC(c2ccccc2)CC1
InChIInChI=1S/C16H18OS/c17-16(15-8-11-18-12-15)9-6-14(7-10-16)13-4-2-1-3-5-13/h1-5,8,11-12,14,17H,6-7,9-10H2
InChIKeyJBDHCMGBIRYJPI-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-thiophen-3-ylcyclohexan-1-ol?
The IUPAC name of 4-phenyl-1-thiophen-3-ylcyclohexan-1-ol (CID 65099659) is 4-phenyl-1-thiophen-3-ylcyclohexan-1-ol.
What is the SMILES notation for 4-phenyl-1-thiophen-3-ylcyclohexan-1-ol?
The canonical SMILES for 4-phenyl-1-thiophen-3-ylcyclohexan-1-ol is OC1(c2ccsc2)CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-thiophen-3-ylcyclohexan-1-ol?
The InChIKey is JBDHCMGBIRYJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c17-16(15-8-11-18-12-15)9-6-14(7-10-16)13-4-2-1-3-5-13/h1-5,8,11-12,14,17H,6-7,9-10H2.
What are the key properties of 4-phenyl-1-thiophen-3-ylcyclohexan-1-ol?
4-phenyl-1-thiophen-3-ylcyclohexan-1-ol has a molecular weight of 258.39 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-thiophen-3-ylcyclohexan-1-ol is sourced from PubChem (CID 65099659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).