2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol

C21H21O4P — CID 12977583

IUPAC2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1P(c1ccccc1)c1c(OC)cccc1OC
InChIInChI=1S/C21H21O4P/c1-23-17-12-7-11-16(22)20(17)26(15-9-5-4-6-10-15)21-18(24-2)13-8-14-19(21)25-3/h4-14,22H,1-3H3
InChIKeyBYPHFZYQJGVILC-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.18
Rot. Bonds6

About 2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol

2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol (PubChem CID 12977583) has the molecular formula C21H21O4P and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol.

Molecular Properties

Compound Name2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol
PubChem CID12977583
Molecular FormulaC21H21O4P
Molecular Weight368.37 g/mol
Exact Mass368.12
IUPAC Name2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1P(c1ccccc1)c1c(OC)cccc1OC
InChIInChI=1S/C21H21O4P/c1-23-17-12-7-11-16(22)20(17)26(15-9-5-4-6-10-15)21-18(24-2)13-8-14-19(21)25-3/h4-14,22H,1-3H3
InChIKeyBYPHFZYQJGVILC-UHFFFAOYSA-N
XLogP3.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane
CID 118467175
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
ethyl (E)-3-(2-diphenylphosphanyl-3-methoxyphenoxy)prop-2-enoate
CID 102304463
bis(2,6-dipropoxyphenyl)-phenylphosphane
CID 13087616
[2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane
CID 25145860
phenol;1,2,3-trimethoxybenzene
CID 174871155
azane;2-methoxyphenol
CID 172717837
2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol
CID 139543737
(2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane
CID 151973130

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol?
The IUPAC name of 2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol (CID 12977583) is 2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol.
What is the SMILES notation for 2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol?
The canonical SMILES for 2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol is COc1cccc(O)c1P(c1ccccc1)c1c(OC)cccc1OC.
What is the InChIKey of 2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol?
The InChIKey is BYPHFZYQJGVILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O4P/c1-23-17-12-7-11-16(22)20(17)26(15-9-5-4-6-10-15)21-18(24-2)13-8-14-19(21)25-3/h4-14,22H,1-3H3.
What are the key properties of 2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol?
2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol has a molecular weight of 368.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol is sourced from PubChem (CID 12977583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).