[2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane

C19H23Cl2O4P — CID 126723131

IUPAC[2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane
SMILESCCCCc1cc(OC)cc(-c2cc(OC)ccc2OC)c1OP(Cl)Cl
InChIInChI=1S/C19H23Cl2O4P/c1-5-6-7-13-10-15(23-3)12-17(19(13)25-26(20)21)16-11-14(22-2)8-9-18(16)24-4/h8-12H,5-7H2,1-4H3
InChIKeyMRQPAFVWIDOBGO-UHFFFAOYSA-N
MW417.27 g/mol
LogP6.81
Rot. Bonds9

About [2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane

[2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane (PubChem CID 126723131) has the molecular formula C19H23Cl2O4P and a molecular weight of 417.27 g/mol. Its IUPAC name is [2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane.

Molecular Properties

Compound Name[2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane
PubChem CID126723131
Molecular FormulaC19H23Cl2O4P
Molecular Weight417.27 g/mol
Exact Mass416.07
IUPAC Name[2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane
SMILESCCCCc1cc(OC)cc(-c2cc(OC)ccc2OC)c1OP(Cl)Cl
InChIInChI=1S/C19H23Cl2O4P/c1-5-6-7-13-10-15(23-3)12-17(19(13)25-26(20)21)16-11-14(22-2)8-9-18(16)24-4/h8-12H,5-7H2,1-4H3
InChIKeyMRQPAFVWIDOBGO-UHFFFAOYSA-N
XLogP6.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.27
LogP ≤ 56.81
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

1,2-dibutyl-4-methoxybenzene
CID 153315966
1-butyl-3-(3-iodo-2,5-dimethoxyphenyl)-2,5-dimethoxybenzene
CID 163664325
2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
2,4-dimethoxy-6-pentylphenol
CID 13197794
1,3-dibutyl-2,4-dimethoxybenzene
CID 162495747
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
1,5-dimethoxy-2-methylsulfanyl-3-pentylbenzene
CID 156744288
2-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
2-butyl-1-hex-1-ynyl-4-methoxybenzene
CID 10752845
(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
CID 15051117

Frequently Asked Questions

What is the IUPAC name of [2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane?
The IUPAC name of [2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane (CID 126723131) is [2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane.
What is the SMILES notation for [2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane?
The canonical SMILES for [2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane is CCCCc1cc(OC)cc(-c2cc(OC)ccc2OC)c1OP(Cl)Cl.
What is the InChIKey of [2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane?
The InChIKey is MRQPAFVWIDOBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2O4P/c1-5-6-7-13-10-15(23-3)12-17(19(13)25-26(20)21)16-11-14(22-2)8-9-18(16)24-4/h8-12H,5-7H2,1-4H3.
What are the key properties of [2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane?
[2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane has a molecular weight of 417.27 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenoxy]-dichlorophosphane is sourced from PubChem (CID 126723131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).