[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid

C21H21O5P — CID 67379044

IUPAC[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid
SMILESCOc1cccc(C(c2ccccc2)(c2ccccc2)P(=O)(O)O)c1OC
InChIInChI=1S/C21H21O5P/c1-25-19-15-9-14-18(20(19)26-2)21(27(22,23)24,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15H,1-2H3,(H2,22,23,24)
InChIKeyDANNZBZKBIAKLG-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.17
Rot. Bonds6

About [(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid

[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid (PubChem CID 67379044) has the molecular formula C21H21O5P and a molecular weight of 384.37 g/mol. Its IUPAC name is [(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid.

Molecular Properties

Compound Name[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid
PubChem CID67379044
Molecular FormulaC21H21O5P
Molecular Weight384.37 g/mol
Exact Mass384.11
IUPAC Name[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid
SMILESCOc1cccc(C(c2ccccc2)(c2ccccc2)P(=O)(O)O)c1OC
InChIInChI=1S/C21H21O5P/c1-25-19-15-9-14-18(20(19)26-2)21(27(22,23)24,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15H,1-2H3,(H2,22,23,24)
InChIKeyDANNZBZKBIAKLG-UHFFFAOYSA-N
XLogP4.17
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
2-(2,2-dihydroxyethylsulfonyl)ethane-1,1-diol;1-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]-diphenylmethyl]-2,3-dimethoxybenzene
CID 70298828
phenol;1,2,3-trimethoxybenzene
CID 174871155
6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid
CID 87361978
2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine
CID 67677363
bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol
CID 70908148
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2,6-dimethoxy-N-(2-phenylpropan-2-yl)benzamide
CID 113091730
2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 139609935
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
[ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid
CID 151300405
3-[(2,3-dimethoxyphenyl)-diphenylmethoxy]carbonyltridecanoic acid
CID 67677231

Frequently Asked Questions

What is the IUPAC name of [(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid?
The IUPAC name of [(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid (CID 67379044) is [(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid.
What is the SMILES notation for [(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid?
The canonical SMILES for [(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid is COc1cccc(C(c2ccccc2)(c2ccccc2)P(=O)(O)O)c1OC.
What is the InChIKey of [(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid?
The InChIKey is DANNZBZKBIAKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O5P/c1-25-19-15-9-14-18(20(19)26-2)21(27(22,23)24,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15H,1-2H3,(H2,22,23,24).
What are the key properties of [(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid?
[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid has a molecular weight of 384.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid is sourced from PubChem (CID 67379044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).