4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol

C27H28O2 — CID 21299763

IUPAC4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol
SMILESC=CCc1cccc2c1CCC2O.OC1Cc2cccc(-c3ccccc3)c2C1
InChIInChI=1S/C15H14O.C12H14O/c16-13-9-12-7-4-8-14(15(12)10-13)11-5-2-1-3-6-11;1-2-4-9-5-3-6-11-10(9)7-8-12(11)13/h1-8,13,16H,9-10H2;2-3,5-6,12-13H,1,4,7-8H2
InChIKeyLZBVHXIQVXEQAQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.21
Rot. Bonds3

About 4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol

4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 21299763) has the molecular formula C27H28O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol
PubChem CID21299763
Molecular FormulaC27H28O2
Molecular Weight384.52 g/mol
Exact Mass384.21
IUPAC Name4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol
SMILESC=CCc1cccc2c1CCC2O.OC1Cc2cccc(-c3ccccc3)c2C1
InChIInChI=1S/C15H14O.C12H14O/c16-13-9-12-7-4-8-14(15(12)10-13)11-5-2-1-3-6-11;1-2-4-9-5-3-6-11-10(9)7-8-12(11)13/h1-8,13,16H,9-10H2;2-3,5-6,12-13H,1,4,7-8H2
InChIKeyLZBVHXIQVXEQAQ-UHFFFAOYSA-N
XLogP5.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol (CID 21299763) is 4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol is C=CCc1cccc2c1CCC2O.OC1Cc2cccc(-c3ccccc3)c2C1.
What is the InChIKey of 4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LZBVHXIQVXEQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C12H14O/c16-13-9-12-7-4-8-14(15(12)10-13)11-5-2-1-3-6-11;1-2-4-9-5-3-6-11-10(9)7-8-12(11)13/h1-8,13,16H,9-10H2;2-3,5-6,12-13H,1,4,7-8H2.
What are the key properties of 4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol?
4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 384.52 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,3-dihydro-1H-inden-2-ol;4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 21299763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).