4-propan-2-ylbenzaldehyde

C10H12O — CID 326

IUPAC4-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(C=O)cc1
InChIInChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChIKeyWTWBUQJHJGUZCY-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.62
Rot. Bonds2

About 4-propan-2-ylbenzaldehyde

4-propan-2-ylbenzaldehyde (PubChem CID 326) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 4-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-propan-2-ylbenzaldehyde
PubChem CID326
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name4-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(C=O)cc1
InChIInChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChIKeyWTWBUQJHJGUZCY-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.62
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

ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde
CID 157133896
4-[(1R)-1-fluoroethyl]benzaldehyde
CID 124547500
4-[(1R)-1-hydrazinylethyl]benzaldehyde
CID 89028166
4-[(1S)-1-hydrazinylethyl]benzaldehyde
CID 87419135
4-(1-hydroxypropan-2-yl)benzaldehyde
CID 130131368
4-[2-(4-formylphenyl)propyl]benzaldehyde
CID 141344923
6-(4-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80632252
4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
CID 105405402
6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde
CID 80639523
N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide
CID 86691231
[(1S)-1-(4-formylphenyl)ethyl]carbamic acid
CID 118959221

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylbenzaldehyde?
The IUPAC name of 4-propan-2-ylbenzaldehyde (CID 326) is 4-propan-2-ylbenzaldehyde.
What is the SMILES notation for 4-propan-2-ylbenzaldehyde?
The canonical SMILES for 4-propan-2-ylbenzaldehyde is CC(C)c1ccc(C=O)cc1.
What is the InChIKey of 4-propan-2-ylbenzaldehyde?
The InChIKey is WTWBUQJHJGUZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3.
What are the key properties of 4-propan-2-ylbenzaldehyde?
4-propan-2-ylbenzaldehyde has a molecular weight of 148.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylbenzaldehyde is sourced from PubChem (CID 326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).