4-benzyl-5-phenylpentanal

C18H20O — CID 151491090

IUPAC4-benzyl-5-phenylpentanal
SMILESO=CCCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20O/c19-13-7-12-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,13,18H,7,12,14-15H2
InChIKeyPOMCIGVGOIAGEX-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.07
Rot. Bonds7

About 4-benzyl-5-phenylpentanal

4-benzyl-5-phenylpentanal (PubChem CID 151491090) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-benzyl-5-phenylpentanal.

Molecular Properties

Compound Name4-benzyl-5-phenylpentanal
PubChem CID151491090
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name4-benzyl-5-phenylpentanal
SMILESO=CCCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20O/c19-13-7-12-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,13,18H,7,12,14-15H2
InChIKeyPOMCIGVGOIAGEX-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.07
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

(4R)-4-(phenylmethoxymethyl)hexanal
CID 89139563
3-benzyl-5-methylhexanal
CID 91400659
(4-benzyl-5-phenylpentyl)phosphane
CID 57129556
3-(2-benzyl-4-methoxypentoxy)propanal
CID 142045898
(2S)-2-benzyl-3-methylbutanal
CID 12021275
(3R)-3-hydroxy-4-phenylbutanal
CID 13425167
(2S,3S,4R)-2,3,4-tribenzylhex-5-enal
CID 101048116
1,6-diphenylhexane-2,5-diol
CID 15072586
(7-benzyl-8-phenyloctyl)phosphane
CID 118892745
(2S)-2-benzyl-4-phenylbutanal
CID 58416977
(2S,3R)-2-benzyl-3-hydroxybutanedial
CID 102204150
2-benzyltetradecylbenzene
CID 22920205

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-phenylpentanal?
The IUPAC name of 4-benzyl-5-phenylpentanal (CID 151491090) is 4-benzyl-5-phenylpentanal.
What is the SMILES notation for 4-benzyl-5-phenylpentanal?
The canonical SMILES for 4-benzyl-5-phenylpentanal is O=CCCC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-phenylpentanal?
The InChIKey is POMCIGVGOIAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c19-13-7-12-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,13,18H,7,12,14-15H2.
What are the key properties of 4-benzyl-5-phenylpentanal?
4-benzyl-5-phenylpentanal has a molecular weight of 252.36 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-phenylpentanal is sourced from PubChem (CID 151491090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).