1-(1-benzothiophen-2-yl)nonan-1-ol

C17H24OS — CID 115784008

IUPAC1-(1-benzothiophen-2-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1cc2ccccc2s1
InChIInChI=1S/C17H24OS/c1-2-3-4-5-6-7-11-15(18)17-13-14-10-8-9-12-16(14)19-17/h8-10,12-13,15,18H,2-7,11H2,1H3
InChIKeyWTCSYBFMJGYODY-UHFFFAOYSA-N
MW276.44 g/mol
LogP5.69
Rot. Bonds8

About 1-(1-benzothiophen-2-yl)nonan-1-ol

1-(1-benzothiophen-2-yl)nonan-1-ol (PubChem CID 115784008) has the molecular formula C17H24OS and a molecular weight of 276.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)nonan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)nonan-1-ol
PubChem CID115784008
Molecular FormulaC17H24OS
Molecular Weight276.44 g/mol
Exact Mass276.15
IUPAC Name1-(1-benzothiophen-2-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1cc2ccccc2s1
InChIInChI=1S/C17H24OS/c1-2-3-4-5-6-7-11-15(18)17-13-14-10-8-9-12-16(14)19-17/h8-10,12-13,15,18H,2-7,11H2,1H3
InChIKeyWTCSYBFMJGYODY-UHFFFAOYSA-N
XLogP5.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.44
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
CID 115835557
1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-ol
CID 86678604
3-(1-benzothiophen-2-yl)octanoic acid
CID 66764559
1-(1-benzothiophen-2-yl)hex-5-en-1-ol
CID 115804316
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186
1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 114980831
1-(1-benzothiophen-2-yl)-2-bromoethanol
CID 130171136
ethyl (3S)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoate
CID 42631132

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)nonan-1-ol?
The IUPAC name of 1-(1-benzothiophen-2-yl)nonan-1-ol (CID 115784008) is 1-(1-benzothiophen-2-yl)nonan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)nonan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)nonan-1-ol is CCCCCCCCC(O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)nonan-1-ol?
The InChIKey is WTCSYBFMJGYODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OS/c1-2-3-4-5-6-7-11-15(18)17-13-14-10-8-9-12-16(14)19-17/h8-10,12-13,15,18H,2-7,11H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)nonan-1-ol?
1-(1-benzothiophen-2-yl)nonan-1-ol has a molecular weight of 276.44 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)nonan-1-ol is sourced from PubChem (CID 115784008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).