[(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone

C21H19O4P — CID 150140511

IUPAC[(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone
SMILESCOc1cccc(P(=O)(C(=O)c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C21H19O4P/c1-24-18-14-9-15-19(20(18)25-2)26(23,17-12-7-4-8-13-17)21(22)16-10-5-3-6-11-16/h3-15H,1-2H3
InChIKeyFDEKDRUTHQDBHA-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.86
Rot. Bonds6

About [(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone

[(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone (PubChem CID 150140511) has the molecular formula C21H19O4P and a molecular weight of 366.35 g/mol. Its IUPAC name is [(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone.

Molecular Properties

Compound Name[(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone
PubChem CID150140511
Molecular FormulaC21H19O4P
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name[(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone
SMILESCOc1cccc(P(=O)(C(=O)c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C21H19O4P/c1-24-18-14-9-15-19(20(18)25-2)26(23,17-12-7-4-8-13-17)21(22)16-10-5-3-6-11-16/h3-15H,1-2H3
InChIKeyFDEKDRUTHQDBHA-UHFFFAOYSA-N
XLogP3.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphoryl-(3-methylphenyl)methanone
CID 57182272
1-[amino(phenyl)phosphoryl]-2-methoxybenzene
CID 122224691
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
1-diphenylphosphoryl-2-iodo-3-methoxybenzene
CID 14906787
(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone
CID 86047213
(4-tert-butylphenyl)-diphenylphosphorylmethanone
CID 21464702
phenol;1,2,3-trimethoxybenzene
CID 174871155
[[3-(chloromethyl)-2,6-dimethoxybenzoyl]-phenylphosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 123711505
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one
CID 154722868
[(5-benzyl-2,3,4-trimethylphenyl)-phenylphosphoryl]-phenylmethanone
CID 140551134
(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 70016069

Frequently Asked Questions

What is the IUPAC name of [(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone?
The IUPAC name of [(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone (CID 150140511) is [(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone.
What is the SMILES notation for [(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone?
The canonical SMILES for [(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone is COc1cccc(P(=O)(C(=O)c2ccccc2)c2ccccc2)c1OC.
What is the InChIKey of [(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone?
The InChIKey is FDEKDRUTHQDBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O4P/c1-24-18-14-9-15-19(20(18)25-2)26(23,17-12-7-4-8-13-17)21(22)16-10-5-3-6-11-16/h3-15H,1-2H3.
What are the key properties of [(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone?
[(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone has a molecular weight of 366.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-dimethoxyphenyl)-phenylphosphoryl]-phenylmethanone is sourced from PubChem (CID 150140511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).