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

C21H16O — CID 139946468

IUPAC2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde
SMILESCC1=Cc2ccccc2C1c1ccc2ccccc2c1C=O
InChIInChI=1S/C21H16O/c1-14-12-16-7-3-5-9-18(16)21(14)19-11-10-15-6-2-4-8-17(15)20(19)13-22/h2-13,21H,1H3
InChIKeyXIENERWUMNKCHS-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.20
Rot. Bonds2

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

2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde (PubChem CID 139946468) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde
PubChem CID139946468
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde
SMILESCC1=Cc2ccccc2C1c1ccc2ccccc2c1C=O
InChIInChI=1S/C21H16O/c1-14-12-16-7-3-5-9-18(16)21(14)19-11-10-15-6-2-4-8-17(15)20(19)13-22/h2-13,21H,1H3
InChIKeyXIENERWUMNKCHS-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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Related Compounds

2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde
CID 87584563
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067355
3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde
CID 139946435
2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067468
2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol
CID 139951457
[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium
CID 87586888
[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
CID 87500510
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
2-chloronaphthalene-1-carbaldehyde
CID 19065818
[3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine
CID 87493467
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene
CID 87492929

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde (CID 139946468) is 2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde is CC1=Cc2ccccc2C1c1ccc2ccccc2c1C=O.
What is the InChIKey of 2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde?
The InChIKey is XIENERWUMNKCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-14-12-16-7-3-5-9-18(16)21(14)19-11-10-15-6-2-4-8-17(15)20(19)13-22/h2-13,21H,1H3.
What are the key properties of 2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde?
2-(2-methyl-1H-inden-1-yl)naphthalene-1-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 2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 139946468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).