5-(4-diphenylphosphanylphenyl)pentanal

C23H23OP — CID 12013218

IUPAC5-(4-diphenylphosphanylphenyl)pentanal
SMILESO=CCCCCc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23OP/c24-19-9-3-4-10-20-15-17-23(18-16-20)25(21-11-5-1-6-12-21)22-13-7-2-8-14-22/h1-2,5-8,11-19H,3-4,9-10H2
InChIKeyMSNHBGGSWIXHHH-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.36
Rot. Bonds8

About 5-(4-diphenylphosphanylphenyl)pentanal

5-(4-diphenylphosphanylphenyl)pentanal (PubChem CID 12013218) has the molecular formula C23H23OP and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-(4-diphenylphosphanylphenyl)pentanal.

Molecular Properties

Compound Name5-(4-diphenylphosphanylphenyl)pentanal
PubChem CID12013218
Molecular FormulaC23H23OP
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name5-(4-diphenylphosphanylphenyl)pentanal
SMILESO=CCCCCc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23OP/c24-19-9-3-4-10-20-15-17-23(18-16-20)25(21-11-5-1-6-12-21)22-13-7-2-8-14-22/h1-2,5-8,11-19H,3-4,9-10H2
InChIKeyMSNHBGGSWIXHHH-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4-oxobutyl)phenyl]pentanal
CID 86059297
ethane;methanamine;11-phenylundecanal
CID 153398504
4-(4-diphenylphosphanylphenyl)butanoic acid
CID 19809583
methane;4-phenylbutanal;4-phenylbutan-1-ol
CID 159284311
5-(4-methylsulfanylphenyl)pentanal
CID 98014049
N-[(4-diphenylphosphanylphenyl)methyl]-1-phenylmethanamine
CID 24878642
4-(4-methylphenyl)butanal
CID 12719282
pentanedial phenoxide
CID 19777602
[4-(iodomethyl)phenyl]-diphenylphosphane
CID 142704427
4-phenylbutylbenzene
CID 141301927
N-(9-phenylnon-2-enyl)formamide
CID 123527841
5-[4-[4-(trifluoromethyl)phenyl]phenyl]pentanal
CID 143082498

Frequently Asked Questions

What is the IUPAC name of 5-(4-diphenylphosphanylphenyl)pentanal?
The IUPAC name of 5-(4-diphenylphosphanylphenyl)pentanal (CID 12013218) is 5-(4-diphenylphosphanylphenyl)pentanal.
What is the SMILES notation for 5-(4-diphenylphosphanylphenyl)pentanal?
The canonical SMILES for 5-(4-diphenylphosphanylphenyl)pentanal is O=CCCCCc1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-(4-diphenylphosphanylphenyl)pentanal?
The InChIKey is MSNHBGGSWIXHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23OP/c24-19-9-3-4-10-20-15-17-23(18-16-20)25(21-11-5-1-6-12-21)22-13-7-2-8-14-22/h1-2,5-8,11-19H,3-4,9-10H2.
What are the key properties of 5-(4-diphenylphosphanylphenyl)pentanal?
5-(4-diphenylphosphanylphenyl)pentanal has a molecular weight of 346.41 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-diphenylphosphanylphenyl)pentanal is sourced from PubChem (CID 12013218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).