1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol

C15H18OS — CID 81142452

IUPAC1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(c2cccc3ccsc23)C1
InChIInChI=1S/C15H18OS/c1-2-11-6-8-15(16,10-11)13-5-3-4-12-7-9-17-14(12)13/h3-5,7,9,11,16H,2,6,8,10H2,1H3
InChIKeyUMIUJKQFLZOLAE-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.30
Rot. Bonds2

About 1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol

1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol (PubChem CID 81142452) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol
PubChem CID81142452
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(c2cccc3ccsc23)C1
InChIInChI=1S/C15H18OS/c1-2-11-6-8-15(16,10-11)13-5-3-4-12-7-9-17-14(12)13/h3-5,7,9,11,16H,2,6,8,10H2,1H3
InChIKeyUMIUJKQFLZOLAE-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzothiophen-3-ylmethanol
CID 2776342
1-Benzothiophen-5-ylmethanol
CID 2795446
Cyclohexanol, 1-benzo[b]thien-2-yl-
CID 398367
Uxwxnuleokqdqj-uhfffaoysa-
CID 21680490
(1-Benzothiophen-7-yl)methanol
CID 16640611
(1S)-1-(1-benzothiophen-3-yl)ethan-1-ol
CID 25128401
5-Methylbenzo[b]thiophene-2-methanol
CID 2794801
3-Methylbenzo(b)thiophene-2-methanol
CID 601293
1-Phenyl-1-(2-thienyl)ethan-1-ol
CID 4259300
3-methyl-3,4-dihydro-1H-thiopyrano[4,3-b][1]benzothiol-4-ol
CID 85781794
1-(Benzo[b]thiophen-2-yl)cyclopentanol
CID 398374
1-Benzo(b)thiophen-2-yl-ethanol
CID 5182453

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol (CID 81142452) is 1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol is CCC1CCC(O)(c2cccc3ccsc23)C1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol?
The InChIKey is UMIUJKQFLZOLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-2-11-6-8-15(16,10-11)13-5-3-4-12-7-9-17-14(12)13/h3-5,7,9,11,16H,2,6,8,10H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol?
1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol has a molecular weight of 246.38 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol is sourced from PubChem (CID 81142452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).