2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol

C23H24O — CID 20693119

IUPAC2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol
SMILESCC/C=C/CC1(C2=CCc3ccccc32)Cc2ccccc2C1O
InChIInChI=1S/C23H24O/c1-2-3-8-15-23(16-18-10-5-7-12-20(18)22(23)24)21-14-13-17-9-4-6-11-19(17)21/h3-12,14,22,24H,2,13,15-16H2,1H3/b8-3+
InChIKeyFFVRPXDKALVDIS-FPYGCLRLSA-N
MW316.44 g/mol
LogP5.26
Rot. Bonds4

About 2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol

2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol (PubChem CID 20693119) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol
PubChem CID20693119
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol
SMILESCC/C=C/CC1(C2=CCc3ccccc32)Cc2ccccc2C1O
InChIInChI=1S/C23H24O/c1-2-3-8-15-23(16-18-10-5-7-12-20(18)22(23)24)21-14-13-17-9-4-6-11-19(17)21/h3-12,14,22,24H,2,13,15-16H2,1H3/b8-3+
InChIKeyFFVRPXDKALVDIS-FPYGCLRLSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.26
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-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol?
The IUPAC name of 2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol (CID 20693119) is 2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol.
What is the SMILES notation for 2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol?
The canonical SMILES for 2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol is CC/C=C/CC1(C2=CCc3ccccc32)Cc2ccccc2C1O.
What is the InChIKey of 2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol?
The InChIKey is FFVRPXDKALVDIS-FPYGCLRLSA-N. The full InChI is InChI=1S/C23H24O/c1-2-3-8-15-23(16-18-10-5-7-12-20(18)22(23)24)21-14-13-17-9-4-6-11-19(17)21/h3-12,14,22,24H,2,13,15-16H2,1H3/b8-3+.
What are the key properties of 2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol?
2-(3H-inden-1-yl)-2-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol has a molecular weight of 316.44 g/mol, XLogP of 5.26, 4 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-[(E)-pent-2-enyl]-1,3-dihydroinden-1-ol is sourced from PubChem (CID 20693119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).