2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol

C25H32N2O4P2 — CID 144987411

IUPAC2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol
SMILESCOc1ccc(P(c2ccc(OC)cc2OC)c2ccccc2P(N(C)C)N(C)C)c(O)c1
InChIInChI=1S/C25H32N2O4P2/c1-26(2)33(27(3)4)25-11-9-8-10-24(25)32(22-14-12-18(29-5)16-20(22)28)23-15-13-19(30-6)17-21(23)31-7/h8-17,28H,1-7H3
InChIKeyILNXHZSOYMCSHP-UHFFFAOYSA-N
MW486.49 g/mol
LogP3.24
Rot. Bonds9

About 2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol

2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol (PubChem CID 144987411) has the molecular formula C25H32N2O4P2 and a molecular weight of 486.49 g/mol. Its IUPAC name is 2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol
PubChem CID144987411
Molecular FormulaC25H32N2O4P2
Molecular Weight486.49 g/mol
Exact Mass486.18
IUPAC Name2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol
SMILESCOc1ccc(P(c2ccc(OC)cc2OC)c2ccccc2P(N(C)C)N(C)C)c(O)c1
InChIInChI=1S/C25H32N2O4P2/c1-26(2)33(27(3)4)25-11-9-8-10-24(25)32(22-14-12-18(29-5)16-20(22)28)23-15-13-19(30-6)17-21(23)31-7/h8-17,28H,1-7H3
InChIKeyILNXHZSOYMCSHP-UHFFFAOYSA-N
XLogP3.24
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[dimethylamino-(2-methoxyphenyl)phosphanyl]-N-methylmethanamine
CID 11356569
[2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite
CID 91579705
CID 157372907
CID 157372907
2,4-dimethoxy-N-methyl-N-phenylaniline
CID 122399149
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane
CID 54403978
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
[2-bis(4-methoxyphenyl)phosphanylphenyl]-bis(4-methoxyphenyl)phosphane
CID 87320481
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
benzene-1,2-diol;4-methoxyphenol
CID 70292826
3-(2-hydroxy-4-methoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 70432171

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol?
The IUPAC name of 2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol (CID 144987411) is 2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol?
The canonical SMILES for 2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol is COc1ccc(P(c2ccc(OC)cc2OC)c2ccccc2P(N(C)C)N(C)C)c(O)c1.
What is the InChIKey of 2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol?
The InChIKey is ILNXHZSOYMCSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4P2/c1-26(2)33(27(3)4)25-11-9-8-10-24(25)32(22-14-12-18(29-5)16-20(22)28)23-15-13-19(30-6)17-21(23)31-7/h8-17,28H,1-7H3.
What are the key properties of 2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol?
2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol has a molecular weight of 486.49 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol is sourced from PubChem (CID 144987411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).