4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde

C24H22O2 — CID 139498384

IUPAC4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESCc1c(COc2c(C=O)ccc3c2CCC3)cccc1-c1ccccc1
InChIInChI=1S/C24H22O2/c1-17-21(10-6-11-22(17)18-7-3-2-4-8-18)16-26-24-20(15-25)14-13-19-9-5-12-23(19)24/h2-4,6-8,10-11,13-15H,5,9,12,16H2,1H3
InChIKeyZGACUHGXWHYJCJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.54
Rot. Bonds5

About 4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde

4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde (PubChem CID 139498384) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde.

Molecular Properties

Compound Name4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde
PubChem CID139498384
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESCc1c(COc2c(C=O)ccc3c2CCC3)cccc1-c1ccccc1
InChIInChI=1S/C24H22O2/c1-17-21(10-6-11-22(17)18-7-3-2-4-8-18)16-26-24-20(15-25)14-13-19-9-5-12-23(19)24/h2-4,6-8,10-11,13-15H,5,9,12,16H2,1H3
InChIKeyZGACUHGXWHYJCJ-UHFFFAOYSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde?
The IUPAC name of 4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde (CID 139498384) is 4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde.
What is the SMILES notation for 4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde?
The canonical SMILES for 4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde is Cc1c(COc2c(C=O)ccc3c2CCC3)cccc1-c1ccccc1.
What is the InChIKey of 4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde?
The InChIKey is ZGACUHGXWHYJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-17-21(10-6-11-22(17)18-7-3-2-4-8-18)16-26-24-20(15-25)14-13-19-9-5-12-23(19)24/h2-4,6-8,10-11,13-15H,5,9,12,16H2,1H3.
What are the key properties of 4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde?
4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde has a molecular weight of 342.44 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde is sourced from PubChem (CID 139498384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).