1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol

C15H18OS — CID 10105986

IUPAC1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(c2cc3ccccc3s2)CC1
InChIInChI=1S/C15H18OS/c1-11-6-8-15(16,9-7-11)14-10-12-4-2-3-5-13(12)17-14/h2-5,10-11,16H,6-9H2,1H3
InChIKeyZEVPSPDETAWJTL-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.30
Rot. Bonds1

About 1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol

1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol (PubChem CID 10105986) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol
PubChem CID10105986
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(c2cc3ccccc3s2)CC1
InChIInChI=1S/C15H18OS/c1-11-6-8-15(16,9-7-11)14-10-12-4-2-3-5-13(12)17-14/h2-5,10-11,16H,6-9H2,1H3
InChIKeyZEVPSPDETAWJTL-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol (CID 10105986) is 1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol is CC1CCC(O)(c2cc3ccccc3s2)CC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol?
The InChIKey is ZEVPSPDETAWJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-11-6-8-15(16,9-7-11)14-10-12-4-2-3-5-13(12)17-14/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol?
1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol has a molecular weight of 246.38 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 10105986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).