cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol

C16H20OS — CID 66777138

IUPACcyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol
SMILESCc1sc2ccccc2c1C(O)C1CCCCC1
InChIInChI=1S/C16H20OS/c1-11-15(13-9-5-6-10-14(13)18-11)16(17)12-7-3-2-4-8-12/h5-6,9-10,12,16-17H,2-4,7-8H2,1H3
InChIKeyUPDUEOAEKCOADZ-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.82
Rot. Bonds2

About cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol

cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol (PubChem CID 66777138) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Namecyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol
PubChem CID66777138
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Namecyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol
SMILESCc1sc2ccccc2c1C(O)C1CCCCC1
InChIInChI=1S/C16H20OS/c1-11-15(13-9-5-6-10-14(13)18-11)16(17)12-7-3-2-4-8-12/h5-6,9-10,12,16-17H,2-4,7-8H2,1H3
InChIKeyUPDUEOAEKCOADZ-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-1-benzothiophen-3-yl)piperidine
CID 116987459
cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol
CID 66778623
(R)-cycloheptyl(phenyl)methanol
CID 94502427
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
(2S)-2-hydroxy-2-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)sulfonyl]piperidin-3-yl]acetic acid
CID 100699660
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(4-bromonaphthalen-1-yl)-cyclohexylmethanol
CID 79596872
4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine
CID 116987473
2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene
CID 11143270
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666350
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol?
The IUPAC name of cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol (CID 66777138) is cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol?
The canonical SMILES for cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol is Cc1sc2ccccc2c1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol?
The InChIKey is UPDUEOAEKCOADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-11-15(13-9-5-6-10-14(13)18-11)16(17)12-7-3-2-4-8-12/h5-6,9-10,12,16-17H,2-4,7-8H2,1H3.
What are the key properties of cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol?
cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol has a molecular weight of 260.40 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 66777138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).