(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol

C18H21O2P — CID 14928752

IUPAC(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol
SMILESC/C(=C\CP(=O)(c1ccccc1)c1ccccc1)C(C)O
InChIInChI=1S/C18H21O2P/c1-15(16(2)19)13-14-21(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,16,19H,14H2,1-2H3/b15-13+
InChIKeyNGZBWNWRPBBSHY-FYWRMAATSA-N
MW300.34 g/mol
LogP3.33
Rot. Bonds5

About (E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol

(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol (PubChem CID 14928752) has the molecular formula C18H21O2P and a molecular weight of 300.34 g/mol. Its IUPAC name is (E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol
PubChem CID14928752
Molecular FormulaC18H21O2P
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol
SMILESC/C(=C\CP(=O)(c1ccccc1)c1ccccc1)C(C)O
InChIInChI=1S/C18H21O2P/c1-15(16(2)19)13-14-21(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,16,19H,14H2,1-2H3/b15-13+
InChIKeyNGZBWNWRPBBSHY-FYWRMAATSA-N
XLogP3.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
1-diphenylphosphoryl-4-methylpentan-3-ol
CID 11312690
(Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol
CID 10063472
(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol
CID 10091303
N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine
CID 86224855
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
4-diphenylphosphorylpentan-2-one
CID 13202508
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
(NZ)-N-(1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
CID 102093434
bis(diphenylphosphinic acid);4-methyloctane-3,5-diol
CID 90418398
(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
CID 102599598
[(E,2S,3S)-6-diphenylphosphoryl-2-methoxy-3,5-dimethylhex-4-enyl]benzene
CID 102124094

Frequently Asked Questions

What is the IUPAC name of (E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol?
The IUPAC name of (E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol (CID 14928752) is (E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol.
What is the SMILES notation for (E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol?
The canonical SMILES for (E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol is C/C(=C\CP(=O)(c1ccccc1)c1ccccc1)C(C)O.
What is the InChIKey of (E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol?
The InChIKey is NGZBWNWRPBBSHY-FYWRMAATSA-N. The full InChI is InChI=1S/C18H21O2P/c1-15(16(2)19)13-14-21(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,16,19H,14H2,1-2H3/b15-13+.
What are the key properties of (E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol?
(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol has a molecular weight of 300.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol is sourced from PubChem (CID 14928752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).