1-methoxybutyl(diphenyl)phosphane

C17H21OP — CID 126564219

IUPAC1-methoxybutyl(diphenyl)phosphane
SMILESCCCC(OC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21OP/c1-3-10-17(18-2)19(15-11-6-4-7-12-15)16-13-8-5-9-14-16/h4-9,11-14,17H,3,10H2,1-2H3
InChIKeyQDVGZCLXKCVQSS-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.89
Rot. Bonds6

About 1-methoxybutyl(diphenyl)phosphane

1-methoxybutyl(diphenyl)phosphane (PubChem CID 126564219) has the molecular formula C17H21OP and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-methoxybutyl(diphenyl)phosphane.

Molecular Properties

Compound Name1-methoxybutyl(diphenyl)phosphane
PubChem CID126564219
Molecular FormulaC17H21OP
Molecular Weight272.33 g/mol
Exact Mass272.13
IUPAC Name1-methoxybutyl(diphenyl)phosphane
SMILESCCCC(OC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21OP/c1-3-10-17(18-2)19(15-11-6-4-7-12-15)16-13-8-5-9-14-16/h4-9,11-14,17H,3,10H2,1-2H3
InChIKeyQDVGZCLXKCVQSS-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane
CID 20520952
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
octan-2-yl(diphenyl)phosphane
CID 18359504
(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
CID 87259750
butane;triphenylphosphane
CID 161447439
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
(3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane
CID 174577948
diphenyl(1-phenylheptan-2-yl)phosphane
CID 139486900
3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol
CID 139228235
1,3-bis(diphenylphosphanyl)propyl acetate;palladium
CID 87696475
2-methoxypropyl(diphenyl)phosphane
CID 23413688
[(2S)-2-methoxypropyl]-diphenylphosphane
CID 10658854

Frequently Asked Questions

What is the IUPAC name of 1-methoxybutyl(diphenyl)phosphane?
The IUPAC name of 1-methoxybutyl(diphenyl)phosphane (CID 126564219) is 1-methoxybutyl(diphenyl)phosphane.
What is the SMILES notation for 1-methoxybutyl(diphenyl)phosphane?
The canonical SMILES for 1-methoxybutyl(diphenyl)phosphane is CCCC(OC)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-methoxybutyl(diphenyl)phosphane?
The InChIKey is QDVGZCLXKCVQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21OP/c1-3-10-17(18-2)19(15-11-6-4-7-12-15)16-13-8-5-9-14-16/h4-9,11-14,17H,3,10H2,1-2H3.
What are the key properties of 1-methoxybutyl(diphenyl)phosphane?
1-methoxybutyl(diphenyl)phosphane has a molecular weight of 272.33 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybutyl(diphenyl)phosphane is sourced from PubChem (CID 126564219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).