3-(3-phenyl-4-propan-2-ylphenyl)propanal

C18H20O — CID 117384463

IUPAC3-(3-phenyl-4-propan-2-ylphenyl)propanal
SMILESCC(C)c1ccc(CCC=O)cc1-c1ccccc1
InChIInChI=1S/C18H20O/c1-14(2)17-11-10-15(7-6-12-19)13-18(17)16-8-4-3-5-9-16/h3-5,8-14H,6-7H2,1-2H3
InChIKeyFXQQXTVFJOLFRW-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.61
Rot. Bonds5

About 3-(3-phenyl-4-propan-2-ylphenyl)propanal

3-(3-phenyl-4-propan-2-ylphenyl)propanal (PubChem CID 117384463) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(3-phenyl-4-propan-2-ylphenyl)propanal.

Molecular Properties

Compound Name3-(3-phenyl-4-propan-2-ylphenyl)propanal
PubChem CID117384463
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name3-(3-phenyl-4-propan-2-ylphenyl)propanal
SMILESCC(C)c1ccc(CCC=O)cc1-c1ccccc1
InChIInChI=1S/C18H20O/c1-14(2)17-11-10-15(7-6-12-19)13-18(17)16-8-4-3-5-9-16/h3-5,8-14H,6-7H2,1-2H3
InChIKeyFXQQXTVFJOLFRW-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.61
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

N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine
CID 117391754
1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117418146
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
3-[4-(difluoromethyl)-3-ethylphenyl]propanal
CID 118801356
N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide
CID 143478664
2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene
CID 146207633
1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
CID 11569608
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal
CID 129248961
4-nitro-2-phenyl-1-propan-2-ylbenzene
CID 71283713
5-[12-(3-formyl-4-hydroxy-5-propan-2-ylphenyl)dodecyl]-2-hydroxy-3-phenylbenzaldehyde
CID 11548236
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-4-propan-2-ylphenyl)propanal?
The IUPAC name of 3-(3-phenyl-4-propan-2-ylphenyl)propanal (CID 117384463) is 3-(3-phenyl-4-propan-2-ylphenyl)propanal.
What is the SMILES notation for 3-(3-phenyl-4-propan-2-ylphenyl)propanal?
The canonical SMILES for 3-(3-phenyl-4-propan-2-ylphenyl)propanal is CC(C)c1ccc(CCC=O)cc1-c1ccccc1.
What is the InChIKey of 3-(3-phenyl-4-propan-2-ylphenyl)propanal?
The InChIKey is FXQQXTVFJOLFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-14(2)17-11-10-15(7-6-12-19)13-18(17)16-8-4-3-5-9-16/h3-5,8-14H,6-7H2,1-2H3.
What are the key properties of 3-(3-phenyl-4-propan-2-ylphenyl)propanal?
3-(3-phenyl-4-propan-2-ylphenyl)propanal has a molecular weight of 252.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-4-propan-2-ylphenyl)propanal is sourced from PubChem (CID 117384463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).