[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane

C21H21O2P — CID 71713664

IUPAC[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane
SMILESCOc1cccc(OC)c1-c1ccccc1[P@@](C)c1ccccc1
InChIInChI=1S/C21H21O2P/c1-22-18-13-9-14-19(23-2)21(18)17-12-7-8-15-20(17)24(3)16-10-5-4-6-11-16/h4-15H,1-3H3/t24-/m0/s1
InChIKeyNGYFQWPXPSGUBI-DEOSSOPVSA-N
MW336.37 g/mol
LogP4.43
Rot. Bonds5

About [2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane

[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane (PubChem CID 71713664) has the molecular formula C21H21O2P and a molecular weight of 336.37 g/mol. Its IUPAC name is [2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane.

Molecular Properties

Compound Name[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane
PubChem CID71713664
Molecular FormulaC21H21O2P
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane
SMILESCOc1cccc(OC)c1-c1ccccc1[P@@](C)c1ccccc1
InChIInChI=1S/C21H21O2P/c1-22-18-13-9-14-19(23-2)21(18)17-12-7-8-15-20(17)24(3)16-10-5-4-6-11-16/h4-15H,1-3H3/t24-/m0/s1
InChIKeyNGYFQWPXPSGUBI-DEOSSOPVSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane
CID 153339770
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
CID 69466165
CID 69466165
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
2-[methyl(phenyl)phosphanyl]phenol
CID 11820610
2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane
CID 175553236
2-bis[2-(2,6-dimethoxyphenyl)phenyl]phosphanylbenzenesulfonate;carbanide;palladium(2+);pyridine
CID 25041913

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane?
The IUPAC name of [2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane (CID 71713664) is [2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane.
What is the SMILES notation for [2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane?
The canonical SMILES for [2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane is COc1cccc(OC)c1-c1ccccc1[P@@](C)c1ccccc1.
What is the InChIKey of [2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane?
The InChIKey is NGYFQWPXPSGUBI-DEOSSOPVSA-N. The full InChI is InChI=1S/C21H21O2P/c1-22-18-13-9-14-19(23-2)21(18)17-12-7-8-15-20(17)24(3)16-10-5-4-6-11-16/h4-15H,1-3H3/t24-/m0/s1.
What are the key properties of [2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane?
[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane has a molecular weight of 336.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane is sourced from PubChem (CID 71713664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).