1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol

C15H20O — CID 114473913

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)C1CCc2ccccc21
InChIInChI=1S/C15H20O/c1-11(2)7-10-15(16)14-9-8-12-5-3-4-6-13(12)14/h3-6,14-16H,1,7-10H2,2H3
InChIKeyHQNJWXUITWTOKP-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.43
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol

1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol (PubChem CID 114473913) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol
PubChem CID114473913
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)C1CCc2ccccc21
InChIInChI=1S/C15H20O/c1-11(2)7-10-15(16)14-9-8-12-5-3-4-6-13(12)14/h3-6,14-16H,1,7-10H2,2H3
InChIKeyHQNJWXUITWTOKP-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.43
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

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-methylpent-4-en-1-ol
CID 115834493
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782
1-(2,3-dihydro-1H-inden-1-yl)pent-4-yn-1-ol
CID 65409805
1-(2,3-dihydro-1H-inden-1-yl)oct-7-en-1-ol
CID 107008599
1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol
CID 82920522
4-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-4-en-1-amine
CID 114474715
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
2-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanol
CID 65410003
2,3-dihydro-1H-inden-1-yl(naphthalen-1-yl)methanol
CID 65411181
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
2,3-dihydro-1H-inden-1-yl-(2-methylphenyl)methanol
CID 65410784

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol (CID 114473913) is 1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol?
The InChIKey is HQNJWXUITWTOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11(2)7-10-15(16)14-9-8-12-5-3-4-6-13(12)14/h3-6,14-16H,1,7-10H2,2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol?
1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 114473913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).