2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde

C13H12O — CID 154426433

IUPAC2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde
SMILESCC1=CC=CC1c1ccccc1C=O
InChIInChI=1S/C13H12O/c1-10-5-4-8-12(10)13-7-3-2-6-11(13)9-14/h2-9,12H,1H3
InChIKeyAACONLVFKZNVHP-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.10
Rot. Bonds2

About 2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde

2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde (PubChem CID 154426433) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde
PubChem CID154426433
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde
SMILESCC1=CC=CC1c1ccccc1C=O
InChIInChI=1S/C13H12O/c1-10-5-4-8-12(10)13-7-3-2-6-11(13)9-14/h2-9,12H,1H3
InChIKeyAACONLVFKZNVHP-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.10
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 2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde?
The IUPAC name of 2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde (CID 154426433) is 2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde.
What is the SMILES notation for 2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde?
The canonical SMILES for 2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde is CC1=CC=CC1c1ccccc1C=O.
What is the InChIKey of 2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde?
The InChIKey is AACONLVFKZNVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-10-5-4-8-12(10)13-7-3-2-6-11(13)9-14/h2-9,12H,1H3.
What are the key properties of 2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde?
2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde has a molecular weight of 184.24 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde is sourced from PubChem (CID 154426433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).