4-phenyl-2-propan-2-ylbenzaldehyde

C16H16O — CID 14895374

IUPAC4-phenyl-2-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(-c2ccccc2)ccc1C=O
InChIInChI=1S/C16H16O/c1-12(2)16-10-14(8-9-15(16)11-17)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyZHGNXTCOJBVCND-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.29
Rot. Bonds3

About 4-phenyl-2-propan-2-ylbenzaldehyde

4-phenyl-2-propan-2-ylbenzaldehyde (PubChem CID 14895374) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-phenyl-2-propan-2-ylbenzaldehyde
PubChem CID14895374
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name4-phenyl-2-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(-c2ccccc2)ccc1C=O
InChIInChI=1S/C16H16O/c1-12(2)16-10-14(8-9-15(16)11-17)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyZHGNXTCOJBVCND-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.29
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-formyl-5-phenylphenyl)boronic acid
CID 170987135
2-ethyl-4-phenylbenzaldehyde
CID 87968483
1-fluoro-4-phenyl-2-propan-2-ylbenzene
CID 134581183
2-(bromomethyl)-4-phenylbenzaldehyde
CID 89003019
6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
CID 12886374
2-nitroso-4-phenylbenzaldehyde
CID 174907087
2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde
CID 175663828
2-naphthalen-2-yl-4-phenylbenzaldehyde
CID 152589859
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985
2-(2-methylpropoxy)-5-phenylbenzaldehyde
CID 54795057
6-phenyl-3-propan-2-ylquinolin-2-amine
CID 63231770
[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid
CID 155616354

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-ylbenzaldehyde?
The IUPAC name of 4-phenyl-2-propan-2-ylbenzaldehyde (CID 14895374) is 4-phenyl-2-propan-2-ylbenzaldehyde.
What is the SMILES notation for 4-phenyl-2-propan-2-ylbenzaldehyde?
The canonical SMILES for 4-phenyl-2-propan-2-ylbenzaldehyde is CC(C)c1cc(-c2ccccc2)ccc1C=O.
What is the InChIKey of 4-phenyl-2-propan-2-ylbenzaldehyde?
The InChIKey is ZHGNXTCOJBVCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12(2)16-10-14(8-9-15(16)11-17)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-ylbenzaldehyde?
4-phenyl-2-propan-2-ylbenzaldehyde has a molecular weight of 224.30 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-ylbenzaldehyde is sourced from PubChem (CID 14895374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).