1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol

C13H18OS — CID 116660106

IUPAC1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol
SMILESOC(CC1=CCCCC1)Cc1cccs1
InChIInChI=1S/C13H18OS/c14-12(10-13-7-4-8-15-13)9-11-5-2-1-3-6-11/h4-5,7-8,12,14H,1-3,6,9-10H2
InChIKeyANURLQNVBSTVKB-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.54
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol

1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol (PubChem CID 116660106) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol
PubChem CID116660106
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol
SMILESOC(CC1=CCCCC1)Cc1cccs1
InChIInChI=1S/C13H18OS/c14-12(10-13-7-4-8-15-13)9-11-5-2-1-3-6-11/h4-5,7-8,12,14H,1-3,6,9-10H2
InChIKeyANURLQNVBSTVKB-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol
CID 106657625
1-[2-(cyclohexen-1-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634710
2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 63773625
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
1-(cyclohexen-1-yl)hex-5-yn-2-ol
CID 116660119
1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol
CID 116660061
1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
CID 103450496
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
(2R)-1,1,1-trichloro-3-(cyclohexen-1-yl)propan-2-ol
CID 13238455
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one
CID 106656095

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol (CID 116660106) is 1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol is OC(CC1=CCCCC1)Cc1cccs1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol?
The InChIKey is ANURLQNVBSTVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c14-12(10-13-7-4-8-15-13)9-11-5-2-1-3-6-11/h4-5,7-8,12,14H,1-3,6,9-10H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol?
1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol has a molecular weight of 222.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 116660106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).