1-diphenylphosphoryl-4-methylpentan-3-ol

C18H23O2P — CID 11312690

IUPAC1-diphenylphosphoryl-4-methylpentan-3-ol
SMILESCC(C)C(O)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O2P/c1-15(2)18(19)13-14-21(20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3
InChIKeyPLANGRDNSPVXKG-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.41
Rot. Bonds6

About 1-diphenylphosphoryl-4-methylpentan-3-ol

1-diphenylphosphoryl-4-methylpentan-3-ol (PubChem CID 11312690) has the molecular formula C18H23O2P and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-diphenylphosphoryl-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-diphenylphosphoryl-4-methylpentan-3-ol
PubChem CID11312690
Molecular FormulaC18H23O2P
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-diphenylphosphoryl-4-methylpentan-3-ol
SMILESCC(C)C(O)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O2P/c1-15(2)18(19)13-14-21(20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3
InChIKeyPLANGRDNSPVXKG-UHFFFAOYSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.41
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

2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium
CID 139127496
(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383331
(3R)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383329
(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
CID 102599598
(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol
CID 14928752
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol
CID 10091303
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
[2-ethoxyethyl(phenyl)phosphoryl]benzene
CID 2304634
2-methyl-7-phenylheptan-3-ol
CID 10976646

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-4-methylpentan-3-ol?
The IUPAC name of 1-diphenylphosphoryl-4-methylpentan-3-ol (CID 11312690) is 1-diphenylphosphoryl-4-methylpentan-3-ol.
What is the SMILES notation for 1-diphenylphosphoryl-4-methylpentan-3-ol?
The canonical SMILES for 1-diphenylphosphoryl-4-methylpentan-3-ol is CC(C)C(O)CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-4-methylpentan-3-ol?
The InChIKey is PLANGRDNSPVXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2P/c1-15(2)18(19)13-14-21(20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3.
What are the key properties of 1-diphenylphosphoryl-4-methylpentan-3-ol?
1-diphenylphosphoryl-4-methylpentan-3-ol has a molecular weight of 302.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-4-methylpentan-3-ol is sourced from PubChem (CID 11312690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).