benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone

C21H17O4P — CID 57001362

IUPACbenzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)P2Oc3ccccc3-c3ccccc32)c1
InChIInChI=1S/C21H17O4P/c1-23-15-11-14(12-16(13-15)24-2)21(22)26-20-10-6-4-8-18(20)17-7-3-5-9-19(17)25-26/h3-13H,1-2H3
InChIKeyJFQUDSNEEYQOSQ-UHFFFAOYSA-N
MW364.34 g/mol
LogP4.63
Rot. Bonds4

About benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone

benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone (PubChem CID 57001362) has the molecular formula C21H17O4P and a molecular weight of 364.34 g/mol. Its IUPAC name is benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Namebenzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone
PubChem CID57001362
Molecular FormulaC21H17O4P
Molecular Weight364.34 g/mol
Exact Mass364.09
IUPAC Namebenzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)P2Oc3ccccc3-c3ccccc32)c1
InChIInChI=1S/C21H17O4P/c1-23-15-11-14(12-16(13-15)24-2)21(22)26-20-10-6-4-8-18(20)17-7-3-5-9-19(17)25-26/h3-13H,1-2H3
InChIKeyJFQUDSNEEYQOSQ-UHFFFAOYSA-N
XLogP4.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 54.63
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

3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one
CID 68978804
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
6-[2-(2-benzo[c][2,1]benzoxaphosphinin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 22965360
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
(2,4-ditert-butylphenyl) 4-benzo[c][2,1]benzoxaphosphinin-6-yloxy-3-tert-butyl-5-methylbenzoate
CID 70555095
S-(9H-fluoren-9-ylmethyl) 3,5-dimethoxybenzenecarbothioate
CID 121298496
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
3,5-dimethoxybenzoyl fluoride
CID 102051744
bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate
CID 66645438
3-(3-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924251

Frequently Asked Questions

What is the IUPAC name of benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone (CID 57001362) is benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)P2Oc3ccccc3-c3ccccc32)c1.
What is the InChIKey of benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone?
The InChIKey is JFQUDSNEEYQOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17O4P/c1-23-15-11-14(12-16(13-15)24-2)21(22)26-20-10-6-4-8-18(20)17-7-3-5-9-19(17)25-26/h3-13H,1-2H3.
What are the key properties of benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone?
benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone has a molecular weight of 364.34 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 57001362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).