3-ethenyl-3-methyl-1,2-dihydroinden-1-ol

C12H14O — CID 130142583

IUPAC3-ethenyl-3-methyl-1,2-dihydroinden-1-ol
SMILESC=CC1(C)CC(O)c2ccccc21
InChIInChI=1S/C12H14O/c1-3-12(2)8-11(13)9-6-4-5-7-10(9)12/h3-7,11,13H,1,8H2,2H3
InChIKeyIKFDQRMPOLSKGF-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.57
Rot. Bonds1

About 3-ethenyl-3-methyl-1,2-dihydroinden-1-ol

3-ethenyl-3-methyl-1,2-dihydroinden-1-ol (PubChem CID 130142583) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-ethenyl-3-methyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name3-ethenyl-3-methyl-1,2-dihydroinden-1-ol
PubChem CID130142583
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3-ethenyl-3-methyl-1,2-dihydroinden-1-ol
SMILESC=CC1(C)CC(O)c2ccccc21
InChIInChI=1S/C12H14O/c1-3-12(2)8-11(13)9-6-4-5-7-10(9)12/h3-7,11,13H,1,8H2,2H3
InChIKeyIKFDQRMPOLSKGF-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 2753008
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CID 104949988
(1S,3R)-1-hydroxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 129362406
(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
CID 125495959
(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene
CID 149388783
(1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol
CID 101090906
(1R)-3-ethenyl-2,3-dihydro-1H-inden-1-ol
CID 58714111
(2S)-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-ol
CID 7103216
3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene
CID 144661541
3,3-difluoro-1,2-dihydroindene-1-carboxylic acid
CID 83853596
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine
CID 75162996

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methyl-1,2-dihydroinden-1-ol?
The IUPAC name of 3-ethenyl-3-methyl-1,2-dihydroinden-1-ol (CID 130142583) is 3-ethenyl-3-methyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for 3-ethenyl-3-methyl-1,2-dihydroinden-1-ol?
The canonical SMILES for 3-ethenyl-3-methyl-1,2-dihydroinden-1-ol is C=CC1(C)CC(O)c2ccccc21.
What is the InChIKey of 3-ethenyl-3-methyl-1,2-dihydroinden-1-ol?
The InChIKey is IKFDQRMPOLSKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-12(2)8-11(13)9-6-4-5-7-10(9)12/h3-7,11,13H,1,8H2,2H3.
What are the key properties of 3-ethenyl-3-methyl-1,2-dihydroinden-1-ol?
3-ethenyl-3-methyl-1,2-dihydroinden-1-ol has a molecular weight of 174.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 130142583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).