3-diphenylphosphorylhexa-4,5-dien-1-ol

C18H19O2P — CID 101143116

IUPAC3-diphenylphosphorylhexa-4,5-dien-1-ol
SMILESC=C=CC(CCO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19O2P/c1-2-9-16(14-15-19)21(20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-13,16,19H,1,14-15H2
InChIKeyMKAVKMUYHUDNOF-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.09
Rot. Bonds6

About 3-diphenylphosphorylhexa-4,5-dien-1-ol

3-diphenylphosphorylhexa-4,5-dien-1-ol (PubChem CID 101143116) has the molecular formula C18H19O2P and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-diphenylphosphorylhexa-4,5-dien-1-ol.

Molecular Properties

Compound Name3-diphenylphosphorylhexa-4,5-dien-1-ol
PubChem CID101143116
Molecular FormulaC18H19O2P
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-diphenylphosphorylhexa-4,5-dien-1-ol
SMILESC=C=CC(CCO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19O2P/c1-2-9-16(14-15-19)21(20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-13,16,19H,1,14-15H2
InChIKeyMKAVKMUYHUDNOF-UHFFFAOYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzylhexa-4,5-dien-1-ol
CID 132552069
3-(benzenesulfinyl)hexa-4,5-dien-1-ol
CID 101143112
4-diphenylphosphorylpentan-2-one
CID 13202508
4-diphenylphosphorylpent-1-en-3-one
CID 162717312
diphenylphosphorylazanide
CID 18705552
N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine
CID 175479837
4-(butylamino)-4-diphenylphosphorylbutan-1-ol
CID 162408899
3-(benzenesulfinyl)octa-6,7-dien-1-ol
CID 101143114
[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid
CID 23660289
(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
CID 10336740
4-[methyl(phenyl)phosphoryl]butan-1-ol
CID 541481
2-(1-diphenylphosphorylprop-2-enyl)cyclopentan-1-ol
CID 15304660

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphorylhexa-4,5-dien-1-ol?
The IUPAC name of 3-diphenylphosphorylhexa-4,5-dien-1-ol (CID 101143116) is 3-diphenylphosphorylhexa-4,5-dien-1-ol.
What is the SMILES notation for 3-diphenylphosphorylhexa-4,5-dien-1-ol?
The canonical SMILES for 3-diphenylphosphorylhexa-4,5-dien-1-ol is C=C=CC(CCO)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphorylhexa-4,5-dien-1-ol?
The InChIKey is MKAVKMUYHUDNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O2P/c1-2-9-16(14-15-19)21(20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-13,16,19H,1,14-15H2.
What are the key properties of 3-diphenylphosphorylhexa-4,5-dien-1-ol?
3-diphenylphosphorylhexa-4,5-dien-1-ol has a molecular weight of 298.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphorylhexa-4,5-dien-1-ol is sourced from PubChem (CID 101143116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).