1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol

C10H14OS — CID 83675076

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol
SMILESCC(O)Cc1cc2c(s1)CCC2
InChIInChI=1S/C10H14OS/c1-7(11)5-9-6-8-3-2-4-10(8)12-9/h6-7,11H,2-5H2,1H3
InChIKeyIEJUAZCAJMQFLW-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.16
Rot. Bonds2

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol (PubChem CID 83675076) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol
PubChem CID83675076
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol
SMILESCC(O)Cc1cc2c(s1)CCC2
InChIInChI=1S/C10H14OS/c1-7(11)5-9-6-8-3-2-4-10(8)12-9/h6-7,11H,2-5H2,1H3
InChIKeyIEJUAZCAJMQFLW-UHFFFAOYSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 62726946
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine
CID 62362003
2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 14338032
(2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylpentanamide
CID 61208957
2-(ethylamino)-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanoic acid
CID 83985464
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
1-(azepan-1-yl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propan-1-one
CID 61207981
3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 62728528
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
2-prop-2-ynyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 147453970

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol (CID 83675076) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol is CC(O)Cc1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol?
The InChIKey is IEJUAZCAJMQFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-7(11)5-9-6-8-3-2-4-10(8)12-9/h6-7,11H,2-5H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol has a molecular weight of 182.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol is sourced from PubChem (CID 83675076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).