1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde

C20H20O — CID 169287909

IUPAC1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde
SMILESC=C(C)CC1(C=O)CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H20O/c1-15(2)12-20(14-21)13-18(16-8-4-3-5-9-16)17-10-6-7-11-19(17)20/h3-11,14,18H,1,12-13H2,2H3
InChIKeyPNSDJCNHIGAUKA-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.63
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde

1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde (PubChem CID 169287909) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde
PubChem CID169287909
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde
SMILESC=C(C)CC1(C=O)CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H20O/c1-15(2)12-20(14-21)13-18(16-8-4-3-5-9-16)17-10-6-7-11-19(17)20/h3-11,14,18H,1,12-13H2,2H3
InChIKeyPNSDJCNHIGAUKA-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde (CID 169287909) is 1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde is C=C(C)CC1(C=O)CC(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde?
The InChIKey is PNSDJCNHIGAUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-15(2)12-20(14-21)13-18(16-8-4-3-5-9-16)17-10-6-7-11-19(17)20/h3-11,14,18H,1,12-13H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde?
1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde has a molecular weight of 276.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde is sourced from PubChem (CID 169287909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).