1-[butyl(phenyl)phosphoryl]-2-methoxybenzene

C17H21O2P — CID 14663612

IUPAC1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
SMILESCCCC[P@](=O)(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C17H21O2P/c1-3-4-14-20(18,15-10-6-5-7-11-15)17-13-9-8-12-16(17)19-2/h5-13H,3-4,14H2,1-2H3/t20-/m0/s1
InChIKeyRKYNGKSCBCBJGA-FQEVSTJZSA-N
MW288.33 g/mol
LogP3.81
Rot. Bonds6

About 1-[butyl(phenyl)phosphoryl]-2-methoxybenzene

1-[butyl(phenyl)phosphoryl]-2-methoxybenzene (PubChem CID 14663612) has the molecular formula C17H21O2P and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-[butyl(phenyl)phosphoryl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
PubChem CID14663612
Molecular FormulaC17H21O2P
Molecular Weight288.33 g/mol
Exact Mass288.13
IUPAC Name1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
SMILESCCCC[P@](=O)(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C17H21O2P/c1-3-4-14-20(18,15-10-6-5-7-11-15)17-13-9-8-12-16(17)19-2/h5-13H,3-4,14H2,1-2H3/t20-/m0/s1
InChIKeyRKYNGKSCBCBJGA-FQEVSTJZSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dibutylphosphoryl-2-methoxybenzene
CID 15651948
N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide
CID 132571794
1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 163210836
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
1-benzyl-2-[decyl(phenyl)phosphoryl]benzene
CID 158283262
1-[amino(phenyl)phosphoryl]-2-methoxybenzene
CID 122224691
2-diphenylphosphoryl-6-methoxy-N-propylaniline
CID 175667588
2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
CID 91739119
1-[4-[butyl(phenyl)phosphoryl]phenyl]ethanone
CID 13301418
1-[butoxy(diphenylphosphorylmethyl)phosphoryl]-2-(methoxymethoxy)benzene
CID 71676293
[6-methoxyhexyl(phenyl)phosphoryl]benzene
CID 141463056
1-dimethylphosphoryl-2-methoxybenzene
CID 90152243

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(phenyl)phosphoryl]-2-methoxybenzene?
The IUPAC name of 1-[butyl(phenyl)phosphoryl]-2-methoxybenzene (CID 14663612) is 1-[butyl(phenyl)phosphoryl]-2-methoxybenzene.
What is the SMILES notation for 1-[butyl(phenyl)phosphoryl]-2-methoxybenzene?
The canonical SMILES for 1-[butyl(phenyl)phosphoryl]-2-methoxybenzene is CCCC[P@](=O)(c1ccccc1)c1ccccc1OC.
What is the InChIKey of 1-[butyl(phenyl)phosphoryl]-2-methoxybenzene?
The InChIKey is RKYNGKSCBCBJGA-FQEVSTJZSA-N. The full InChI is InChI=1S/C17H21O2P/c1-3-4-14-20(18,15-10-6-5-7-11-15)17-13-9-8-12-16(17)19-2/h5-13H,3-4,14H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[butyl(phenyl)phosphoryl]-2-methoxybenzene?
1-[butyl(phenyl)phosphoryl]-2-methoxybenzene has a molecular weight of 288.33 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(phenyl)phosphoryl]-2-methoxybenzene is sourced from PubChem (CID 14663612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).