1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene

C20H19O3P — CID 175093390

IUPAC1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
SMILESCOc1ccc(P(=O)(OCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19O3P/c1-22-18-12-14-20(15-13-18)24(21,19-10-6-3-7-11-19)23-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyZQWDFOQGNOZYSZ-UHFFFAOYSA-N
MW338.34 g/mol
LogP4.14
Rot. Bonds6

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

1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene (PubChem CID 175093390) has the molecular formula C20H19O3P and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
PubChem CID175093390
Molecular FormulaC20H19O3P
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
SMILESCOc1ccc(P(=O)(OCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19O3P/c1-22-18-12-14-20(15-13-18)24(21,19-10-6-3-7-11-19)23-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyZQWDFOQGNOZYSZ-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl [(1S,2S,3R,4R,5S,6R)-3-[(4-methoxyphenyl)methoxy]-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] phosphate
CID 11216804
(4-methoxyphenyl)phosphonic acid;phenylmethanamine
CID 44889970
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863286
(4-methoxyphenyl)methoxy-methylphosphinic acid
CID 18801166
[3,5-bis[bis(phenylmethoxy)phosphinothioyloxy]-2,4,6-tris[(4-methoxyphenyl)methoxy]cyclohexyl]oxy-bis(phenylmethoxy)-sulfanylidene-λ5-phosphane
CID 10329091
1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
CID 102079246
2-bis(4-methoxyphenyl)phosphoryloxyphenol
CID 3304496
N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine
CID 10882664
1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene
CID 59289670
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene?
The IUPAC name of 1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene (CID 175093390) is 1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene.
What is the SMILES notation for 1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene?
The canonical SMILES for 1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene is COc1ccc(P(=O)(OCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene?
The InChIKey is ZQWDFOQGNOZYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O3P/c1-22-18-12-14-20(15-13-18)24(21,19-10-6-3-7-11-19)23-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3.
What are the key properties of 1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene?
1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene has a molecular weight of 338.34 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene is sourced from PubChem (CID 175093390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).