[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane

C18H24O6P2 — CID 59989489

IUPAC[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane
SMILESCOc1cc(P)c(-c2c(P)cc(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C18H24O6P2/c1-19-9-7-11(25)13(17(23-5)15(9)21-3)14-12(26)8-10(20-2)16(22-4)18(14)24-6/h7-8H,25-26H2,1-6H3
InChIKeyGXIQKEXEPMDDHA-UHFFFAOYSA-N
MW398.33 g/mol
LogP2.41
Rot. Bonds7

About [3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane

[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane (PubChem CID 59989489) has the molecular formula C18H24O6P2 and a molecular weight of 398.33 g/mol. Its IUPAC name is [3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane.

Molecular Properties

Compound Name[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane
PubChem CID59989489
Molecular FormulaC18H24O6P2
Molecular Weight398.33 g/mol
Exact Mass398.10
IUPAC Name[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane
SMILESCOc1cc(P)c(-c2c(P)cc(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C18H24O6P2/c1-19-9-7-11(25)13(17(23-5)15(9)21-3)14-12(26)8-10(20-2)16(22-4)18(14)24-6/h7-8H,25-26H2,1-6H3
InChIKeyGXIQKEXEPMDDHA-UHFFFAOYSA-N
XLogP2.41
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550
1,2,3,9,10,11-hexamethoxy-5,7-dihydrobenzo[d][2]benzothiepine
CID 86074646
(3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane
CID 59787533
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
3,4-dimethoxy-N-methyl-5-phosphanylaniline;methanethiol
CID 145462557
2,3,5,6-tetramethoxyaniline
CID 19093015
phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane
CID 20730418
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
CID 11490978
1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 157222020
2,3-dimethoxy-5-methylaniline
CID 14263216
(5-fluoro-2-methoxyphenyl)phosphane
CID 158974497

Frequently Asked Questions

What is the IUPAC name of [3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane?
The IUPAC name of [3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane (CID 59989489) is [3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane.
What is the SMILES notation for [3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane?
The canonical SMILES for [3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane is COc1cc(P)c(-c2c(P)cc(OC)c(OC)c2OC)c(OC)c1OC.
What is the InChIKey of [3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane?
The InChIKey is GXIQKEXEPMDDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6P2/c1-19-9-7-11(25)13(17(23-5)15(9)21-3)14-12(26)8-10(20-2)16(22-4)18(14)24-6/h7-8H,25-26H2,1-6H3.
What are the key properties of [3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane?
[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane has a molecular weight of 398.33 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane is sourced from PubChem (CID 59989489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).