3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde

C21H16O — CID 139946435

IUPAC3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde
SMILESCC1=Cc2ccccc2C1c1cc2ccccc2cc1C=O
InChIInChI=1S/C21H16O/c1-14-10-17-8-4-5-9-19(17)21(14)20-12-16-7-3-2-6-15(16)11-18(20)13-22/h2-13,21H,1H3
InChIKeyCZVJDIIWIRPTQY-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.20
Rot. Bonds2

About 3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde

3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde (PubChem CID 139946435) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde
PubChem CID139946435
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde
SMILESCC1=Cc2ccccc2C1c1cc2ccccc2cc1C=O
InChIInChI=1S/C21H16O/c1-14-10-17-8-4-5-9-19(17)21(14)20-12-16-7-3-2-6-15(16)11-18(20)13-22/h2-13,21H,1H3
InChIKeyCZVJDIIWIRPTQY-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde?
The IUPAC name of 3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde (CID 139946435) is 3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde?
The canonical SMILES for 3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde is CC1=Cc2ccccc2C1c1cc2ccccc2cc1C=O.
What is the InChIKey of 3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde?
The InChIKey is CZVJDIIWIRPTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-14-10-17-8-4-5-9-19(17)21(14)20-12-16-7-3-2-6-15(16)11-18(20)13-22/h2-13,21H,1H3.
What are the key properties of 3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde?
3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde has a molecular weight of 284.36 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 139946435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).