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

C18H18OS — CID 114910872

IUPAC2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol
SMILESCC(O)(CCc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C18H18OS/c1-18(19,12-11-14-7-3-2-4-8-14)17-13-15-9-5-6-10-16(15)20-17/h2-10,13,19H,11-12H2,1H3
InChIKeyOXCVWDDHKQUWHC-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.74
Rot. Bonds4

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

2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol (PubChem CID 114910872) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol
PubChem CID114910872
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol
SMILESCC(O)(CCc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C18H18OS/c1-18(19,12-11-14-7-3-2-4-8-14)17-13-15-9-5-6-10-16(15)20-17/h2-10,13,19H,11-12H2,1H3
InChIKeyOXCVWDDHKQUWHC-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 99980805
1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol
CID 114910761
2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol
CID 114910768
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
CID 901528
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
CID 99979783
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 86263942
2-(1-benzothiophen-2-yl)-3-ethylpentan-2-ol
CID 114910806
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]ethanesulfonamide
CID 99980295
2-(2,3-dimethylbutan-2-yl)-1-benzothiophene
CID 23150201
2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol (CID 114910872) is 2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol is CC(O)(CCc1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol?
The InChIKey is OXCVWDDHKQUWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c1-18(19,12-11-14-7-3-2-4-8-14)17-13-15-9-5-6-10-16(15)20-17/h2-10,13,19H,11-12H2,1H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol?
2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol has a molecular weight of 282.41 g/mol, XLogP of 4.74, 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-phenylbutan-2-ol is sourced from PubChem (CID 114910872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).