1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol

C17H22OS — CID 65154330

IUPAC1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2csc3ccccc23)C1C
InChIInChI=1S/C17H22OS/c1-12-6-5-9-17(18,13(12)2)10-14-11-19-16-8-4-3-7-15(14)16/h3-4,7-8,11-13,18H,5-6,9-10H2,1-2H3
InChIKeyDRRQQAXPULZLFZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.63
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol

1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol (PubChem CID 65154330) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol
PubChem CID65154330
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2csc3ccccc23)C1C
InChIInChI=1S/C17H22OS/c1-12-6-5-9-17(18,13(12)2)10-14-11-19-16-8-4-3-7-15(14)16/h3-4,7-8,11-13,18H,5-6,9-10H2,1-2H3
InChIKeyDRRQQAXPULZLFZ-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzothiophen-3-ylmethyl)-2-methylthian-3-ol
CID 79951470
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
CID 63738318
2-(1-benzothiophen-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749239
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79834589
(1R,2R,5R)-2-(1-benzothiophen-3-ylmethyl)-2-hydroxy-4,4-dimethyl-5-phenylcyclopentane-1-carbaldehyde
CID 162403468
N-(1-benzothiophen-3-ylmethyl)-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030020
4-(1-benzothiophen-3-ylmethyl)-2-ethyl-2-methyloxan-4-ol
CID 65149267
N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024029
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116604066
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
1-(1-benzothiophen-3-ylmethyl)cycloheptane-1-carbonitrile
CID 65389327

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol (CID 65154330) is 1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(Cc2csc3ccccc23)C1C.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol?
The InChIKey is DRRQQAXPULZLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS/c1-12-6-5-9-17(18,13(12)2)10-14-11-19-16-8-4-3-7-15(14)16/h3-4,7-8,11-13,18H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol?
1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol has a molecular weight of 274.43 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65154330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).