2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol

C21H20O — CID 20693131

IUPAC2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol
SMILESC=CCC1(C2=CCc3ccccc32)Cc2ccccc2C1O
InChIInChI=1S/C21H20O/c1-2-13-21(14-16-8-4-6-10-18(16)20(21)22)19-12-11-15-7-3-5-9-17(15)19/h2-10,12,20,22H,1,11,13-14H2
InChIKeyLCFHPVIBWDQGOS-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.48
Rot. Bonds3

About 2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol

2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol (PubChem CID 20693131) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol
PubChem CID20693131
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol
SMILESC=CCC1(C2=CCc3ccccc32)Cc2ccccc2C1O
InChIInChI=1S/C21H20O/c1-2-13-21(14-16-8-4-6-10-18(16)20(21)22)19-12-11-15-7-3-5-9-17(15)19/h2-10,12,20,22H,1,11,13-14H2
InChIKeyLCFHPVIBWDQGOS-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol?
The IUPAC name of 2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol (CID 20693131) is 2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol.
What is the SMILES notation for 2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol?
The canonical SMILES for 2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol is C=CCC1(C2=CCc3ccccc32)Cc2ccccc2C1O.
What is the InChIKey of 2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol?
The InChIKey is LCFHPVIBWDQGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-2-13-21(14-16-8-4-6-10-18(16)20(21)22)19-12-11-15-7-3-5-9-17(15)19/h2-10,12,20,22H,1,11,13-14H2.
What are the key properties of 2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol?
2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol has a molecular weight of 288.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol is sourced from PubChem (CID 20693131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).