3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol

C15H18OS — CID 64516278

IUPAC3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol
SMILESOC1CCCC(Cc2csc3ccccc23)C1
InChIInChI=1S/C15H18OS/c16-13-5-3-4-11(9-13)8-12-10-17-15-7-2-1-6-14(12)15/h1-2,6-7,10-11,13,16H,3-5,8-9H2
InChIKeyKLZFFKIEQRVZBX-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.99
Rot. Bonds2

About 3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol

3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol (PubChem CID 64516278) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol
PubChem CID64516278
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol
SMILESOC1CCCC(Cc2csc3ccccc23)C1
InChIInChI=1S/C15H18OS/c16-13-5-3-4-11(9-13)8-12-10-17-15-7-2-1-6-14(12)15/h1-2,6-7,10-11,13,16H,3-5,8-9H2
InChIKeyKLZFFKIEQRVZBX-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
CID 55198456
1-(1-benzothiophen-3-yl)-4-cyclohexylbutan-2-one
CID 114965584
N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033729
2-[(3-hydroxycyclohexyl)methyl]-1,2-benzothiazol-3-one
CID 114147581
2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136
3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214140
N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
CID 113235576
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone
CID 65409096
2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone
CID 80621447
3-[[3-(1-benzothiophen-3-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 122032951
2-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]acetic acid
CID 63738099

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol (CID 64516278) is 3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol is OC1CCCC(Cc2csc3ccccc23)C1.
What is the InChIKey of 3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol?
The InChIKey is KLZFFKIEQRVZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c16-13-5-3-4-11(9-13)8-12-10-17-15-7-2-1-6-14(12)15/h1-2,6-7,10-11,13,16H,3-5,8-9H2.
What are the key properties of 3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol?
3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol has a molecular weight of 246.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 64516278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).