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

C13H18OS — CID 115810675

IUPAC3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
SMILESOC(CCC1CC1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H18OS/c14-11(7-6-9-4-5-9)13-8-10-2-1-3-12(10)15-13/h8-9,11,14H,1-7H2
InChIKeyRLELNGBCISFORT-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.46
Rot. Bonds4

About 3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol

3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol (PubChem CID 115810675) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
PubChem CID115810675
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
SMILESOC(CCC1CC1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H18OS/c14-11(7-6-9-4-5-9)13-8-10-2-1-3-12(10)15-13/h8-9,11,14H,1-7H2
InChIKeyRLELNGBCISFORT-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol
CID 115809348
(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 96777587
cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115840619
cyclohexyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115802136
4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol
CID 115803769
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803165
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-thiophen-3-ylethanol
CID 63016158
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 114980354
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832035

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol (CID 115810675) is 3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol is OC(CCC1CC1)c1cc2c(s1)CCC2.
What is the InChIKey of 3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol?
The InChIKey is RLELNGBCISFORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c14-11(7-6-9-4-5-9)13-8-10-2-1-3-12(10)15-13/h8-9,11,14H,1-7H2.
What are the key properties of 3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol?
3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol has a molecular weight of 222.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol is sourced from PubChem (CID 115810675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).