4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde

C18H20O — CID 105408260

IUPAC4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde
SMILESCc1ccc(C=O)cc1-c1cccc(CC(C)C)c1
InChIInChI=1S/C18H20O/c1-13(2)9-15-5-4-6-17(10-15)18-11-16(12-19)8-7-14(18)3/h4-8,10-13H,9H2,1-3H3
InChIKeyLLFDNZCKSQBSPD-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.67
Rot. Bonds4

About 4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde

4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde (PubChem CID 105408260) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde
PubChem CID105408260
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde
SMILESCc1ccc(C=O)cc1-c1cccc(CC(C)C)c1
InChIInChI=1S/C18H20O/c1-13(2)9-15-5-4-6-17(10-15)18-11-16(12-19)8-7-14(18)3/h4-8,10-13H,9H2,1-3H3
InChIKeyLLFDNZCKSQBSPD-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.67
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

4-methyl-3-[4-(2-methylpropyl)phenyl]benzaldehyde
CID 105409668
3-fluoro-4-[3-(2-methylpropyl)phenyl]benzaldehyde
CID 116545289
3-(3-hydroxyphenyl)-4-methylbenzaldehyde
CID 39231630
2-methyl-5-[3-(2-methylpropyl)phenyl]aniline
CID 116545232
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651197
3-(furan-3-yl)-4-methylbenzaldehyde
CID 105408137
N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
CID 116545389
4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one
CID 106522097
4-methyl-3-quinolin-7-ylbenzaldehyde
CID 105408212
2-[3-(2-methylpropyl)phenyl]propanal
CID 105444490
4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene
CID 146207453

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde?
The IUPAC name of 4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde (CID 105408260) is 4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde?
The canonical SMILES for 4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde is Cc1ccc(C=O)cc1-c1cccc(CC(C)C)c1.
What is the InChIKey of 4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde?
The InChIKey is LLFDNZCKSQBSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-13(2)9-15-5-4-6-17(10-15)18-11-16(12-19)8-7-14(18)3/h4-8,10-13H,9H2,1-3H3.
What are the key properties of 4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde?
4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde has a molecular weight of 252.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde is sourced from PubChem (CID 105408260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).