(1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol

C25H22O — CID 101442795

IUPAC(1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol
SMILESO[C@@]1(C/C=C/c2ccccc2)C/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C25H22O/c26-25(17-9-14-20-10-3-1-4-11-20)19-22(18-21-12-5-2-6-13-21)23-15-7-8-16-24(23)25/h1-16,18,26H,17,19H2/b14-9+,22-18+/t25-/m0/s1
InChIKeyAHTFYCPTHQLOGQ-MAJLTXJCSA-N
MW338.45 g/mol
LogP5.92
Rot. Bonds4

About (1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol

(1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol (PubChem CID 101442795) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is (1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol.

Molecular Properties

Compound Name(1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol
PubChem CID101442795
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name(1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol
SMILESO[C@@]1(C/C=C/c2ccccc2)C/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C25H22O/c26-25(17-9-14-20-10-3-1-4-11-20)19-22(18-21-12-5-2-6-13-21)23-15-7-8-16-24(23)25/h1-16,18,26H,17,19H2/b14-9+,22-18+/t25-/m0/s1
InChIKeyAHTFYCPTHQLOGQ-MAJLTXJCSA-N
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-1-prop-2-enyl-2H-inden-1-ol
CID 86041926
1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one
CID 10498597
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate
CID 14713456
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
CID 24813481
4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide
CID 101200919
1-[(3E,4E)-1-acetyl-3,4-dibenzylidenecyclopentyl]ethanone
CID 71770734
(4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran
CID 132555120
[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene
CID 138964219
2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane
CID 22177287
benzene;but-1-enylbenzene
CID 157481332

Frequently Asked Questions

What is the IUPAC name of (1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol?
The IUPAC name of (1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol (CID 101442795) is (1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol.
What is the SMILES notation for (1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol?
The canonical SMILES for (1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol is O[C@@]1(C/C=C/c2ccccc2)C/C(=C\c2ccccc2)c2ccccc21.
What is the InChIKey of (1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol?
The InChIKey is AHTFYCPTHQLOGQ-MAJLTXJCSA-N. The full InChI is InChI=1S/C25H22O/c26-25(17-9-14-20-10-3-1-4-11-20)19-22(18-21-12-5-2-6-13-21)23-15-7-8-16-24(23)25/h1-16,18,26H,17,19H2/b14-9+,22-18+/t25-/m0/s1.
What are the key properties of (1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol?
(1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol has a molecular weight of 338.45 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol is sourced from PubChem (CID 101442795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).