2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol

C17H24OS — CID 105103129

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)C2Cc3ccccc3S2)CC1C
InChIInChI=1S/C17H24OS/c1-11-7-8-14(9-12(11)2)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-6,11-12,14,16-18H,7-10H2,1-2H3
InChIKeyKKDSNDTXLTYXNY-UHFFFAOYSA-N
MW276.44 g/mol
LogP4.14
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol

2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol (PubChem CID 105103129) has the molecular formula C17H24OS and a molecular weight of 276.44 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol
PubChem CID105103129
Molecular FormulaC17H24OS
Molecular Weight276.44 g/mol
Exact Mass276.15
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)C2Cc3ccccc3S2)CC1C
InChIInChI=1S/C17H24OS/c1-11-7-8-14(9-12(11)2)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-6,11-12,14,16-18H,7-10H2,1-2H3
InChIKeyKKDSNDTXLTYXNY-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 105112802
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105100901
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084269
2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol
CID 105091980
2,3-dimethyl-3,4-dihydro-2H-thiochromene
CID 19855208
1-(2,3-dihydro-1-benzothiophen-2-yl)undecan-1-ol
CID 105089949
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-2-ylethanol
CID 105106044
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089082
1-(2,3-dihydro-1-benzothiophen-2-yl)pent-4-yn-1-ol
CID 105098639
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol
CID 115806226

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol (CID 105103129) is 2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol is CC1CCC(C(O)C2Cc3ccccc3S2)CC1C.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol?
The InChIKey is KKDSNDTXLTYXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OS/c1-11-7-8-14(9-12(11)2)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-6,11-12,14,16-18H,7-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol?
2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol has a molecular weight of 276.44 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 105103129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).