4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene

C15H17O2P — CID 14790520

IUPAC4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene
SMILESCOc1ccc(P(C)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C15H17O2P/c1-12-11-13(17-2)9-10-15(12)18(3,16)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyKOMVWYKQEQZYAA-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.95
Rot. Bonds3

About 4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene

4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene (PubChem CID 14790520) has the molecular formula C15H17O2P and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene
PubChem CID14790520
Molecular FormulaC15H17O2P
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene
SMILESCOc1ccc(P(C)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C15H17O2P/c1-12-11-13(17-2)9-10-15(12)18(3,16)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyKOMVWYKQEQZYAA-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.95
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

2-diphenylphosphoryl-1,4-dimethoxybenzene
CID 15129135
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
2-methoxy-6-[(6-methoxynaphthalen-2-yl)-methylphosphoryl]naphthalene
CID 10595674
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene
CID 175870456
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene
CID 90152256
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
anisole;[methoxy(methyl)phosphoryl]oxymethane
CID 175280701
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene?
The IUPAC name of 4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene (CID 14790520) is 4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for 4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene?
The canonical SMILES for 4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene is COc1ccc(P(C)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene?
The InChIKey is KOMVWYKQEQZYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O2P/c1-12-11-13(17-2)9-10-15(12)18(3,16)14-7-5-4-6-8-14/h4-11H,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene?
4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene has a molecular weight of 260.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 14790520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).