4-(3-ethylphenyl)-2-methylbenzaldehyde

C16H16O — CID 174256468

IUPAC4-(3-ethylphenyl)-2-methylbenzaldehyde
SMILESCCc1cccc(-c2ccc(C=O)c(C)c2)c1
InChIInChI=1S/C16H16O/c1-3-13-5-4-6-14(10-13)15-7-8-16(11-17)12(2)9-15/h4-11H,3H2,1-2H3
InChIKeyWKMYJQRNLLFJOX-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.04
Rot. Bonds3

About 4-(3-ethylphenyl)-2-methylbenzaldehyde

4-(3-ethylphenyl)-2-methylbenzaldehyde (PubChem CID 174256468) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(3-ethylphenyl)-2-methylbenzaldehyde
PubChem CID174256468
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name4-(3-ethylphenyl)-2-methylbenzaldehyde
SMILESCCc1cccc(-c2ccc(C=O)c(C)c2)c1
InChIInChI=1S/C16H16O/c1-3-13-5-4-6-14(10-13)15-7-8-16(11-17)12(2)9-15/h4-11H,3H2,1-2H3
InChIKeyWKMYJQRNLLFJOX-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
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

tert-butyl N-[[3-(4-formyl-3-methylphenyl)phenyl]methyl]-N-methylcarbamate
CID 91244259
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
2-ethyl-4-phenylbenzaldehyde
CID 87968483
1-ethyl-3-phenylbenzene;propane
CID 145466525
4-(3-ethylphenyl)-1-methyl-2-propylbenzene
CID 145461377
2-methyl-4-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650737
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane
CID 142939514
4-[4-(difluoromethyl)phenyl]-2-methylbenzaldehyde
CID 172651393
4-(3-ethylphenyl)benzamide
CID 54454087

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)-2-methylbenzaldehyde?
The IUPAC name of 4-(3-ethylphenyl)-2-methylbenzaldehyde (CID 174256468) is 4-(3-ethylphenyl)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(3-ethylphenyl)-2-methylbenzaldehyde?
The canonical SMILES for 4-(3-ethylphenyl)-2-methylbenzaldehyde is CCc1cccc(-c2ccc(C=O)c(C)c2)c1.
What is the InChIKey of 4-(3-ethylphenyl)-2-methylbenzaldehyde?
The InChIKey is WKMYJQRNLLFJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-3-13-5-4-6-14(10-13)15-7-8-16(11-17)12(2)9-15/h4-11H,3H2,1-2H3.
What are the key properties of 4-(3-ethylphenyl)-2-methylbenzaldehyde?
4-(3-ethylphenyl)-2-methylbenzaldehyde has a molecular weight of 224.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-2-methylbenzaldehyde is sourced from PubChem (CID 174256468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).