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

C15H20OS — CID 114910768

IUPAC2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol
SMILESCCC(C)CC(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C15H20OS/c1-4-11(2)10-15(3,16)14-9-12-7-5-6-8-13(12)17-14/h5-9,11,16H,4,10H2,1-3H3
InChIKeyZDHVUHOUGZZXRI-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.55
Rot. Bonds4

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

2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol (PubChem CID 114910768) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol
PubChem CID114910768
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol
SMILESCCC(C)CC(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C15H20OS/c1-4-11(2)10-15(3,16)14-9-12-7-5-6-8-13(12)17-14/h5-9,11,16H,4,10H2,1-3H3
InChIKeyZDHVUHOUGZZXRI-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-2-yl)-3-ethylpentan-2-ol
CID 114910806
2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol
CID 114910761
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]ethanesulfonamide
CID 99980295
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
CID 99979783
1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol
CID 114910872
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288
2-(2,3-dimethylbutan-2-yl)-1-benzothiophene
CID 23150201
2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol
CID 114910856
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
CID 99980030
2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
CID 901528

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol (CID 114910768) is 2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol is CCC(C)CC(C)(O)c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol?
The InChIKey is ZDHVUHOUGZZXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-4-11(2)10-15(3,16)14-9-12-7-5-6-8-13(12)17-14/h5-9,11,16H,4,10H2,1-3H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol?
2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol has a molecular weight of 248.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol is sourced from PubChem (CID 114910768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).