3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde

C18H20O — CID 123457537

IUPAC3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde
SMILESCCc1ccc(-c2cc(C=O)cc(C(C)C)c2)cc1
InChIInChI=1S/C18H20O/c1-4-14-5-7-16(8-6-14)18-10-15(12-19)9-17(11-18)13(2)3/h5-13H,4H2,1-3H3
InChIKeyHLCWLXYTFSYHRU-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.85
Rot. Bonds4

About 3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde

3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde (PubChem CID 123457537) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde
PubChem CID123457537
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde
SMILESCCc1ccc(-c2cc(C=O)cc(C(C)C)c2)cc1
InChIInChI=1S/C18H20O/c1-4-14-5-7-16(8-6-14)18-10-15(12-19)9-17(11-18)13(2)3/h5-13H,4H2,1-3H3
InChIKeyHLCWLXYTFSYHRU-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
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;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
3-methyl-5-[4-(2-methylpropyl)phenyl]benzaldehyde
CID 172652242
1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223
5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 146019858
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
3,5-bis(4-formylphenyl)benzaldehyde
CID 141451191
1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene
CID 91306143
cumene;1,4-diethylbenzene;1-ethyl-4-(4-ethylphenyl)benzene;methane;methanol
CID 159437304
[4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane
CID 170292816
5-(4-ethylphenyl)-1H-pyrrole-2-carbaldehyde
CID 82397817
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde?
The IUPAC name of 3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde (CID 123457537) is 3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde.
What is the SMILES notation for 3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde?
The canonical SMILES for 3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde is CCc1ccc(-c2cc(C=O)cc(C(C)C)c2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde?
The InChIKey is HLCWLXYTFSYHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-4-14-5-7-16(8-6-14)18-10-15(12-19)9-17(11-18)13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde?
3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde has a molecular weight of 252.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde is sourced from PubChem (CID 123457537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).