bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite

C18H23O7P — CID 69443369

IUPACbis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite
SMILESCOc1ccc(COP(O)OCc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C18H23O7P/c1-20-15-7-5-13(17(9-15)22-3)11-24-26(19)25-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3
InChIKeyNAMIALUNKOUUCM-UHFFFAOYSA-N
MW382.35 g/mol
LogP3.67
Rot. Bonds10

About bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite

bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite (PubChem CID 69443369) has the molecular formula C18H23O7P and a molecular weight of 382.35 g/mol. Its IUPAC name is bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite.

Molecular Properties

Compound Namebis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite
PubChem CID69443369
Molecular FormulaC18H23O7P
Molecular Weight382.35 g/mol
Exact Mass382.12
IUPAC Namebis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite
SMILESCOc1ccc(COP(O)OCc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C18H23O7P/c1-20-15-7-5-13(17(9-15)22-3)11-24-26(19)25-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3
InChIKeyNAMIALUNKOUUCM-UHFFFAOYSA-N
XLogP3.67
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine
CID 167225872
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
2-(2,4-dimethoxyphenyl)ethanesulfinic acid
CID 68550384
(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate
CID 24874415
(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 97180181
(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 24721588
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
4-[(2,4-dimethoxyphenyl)methyl]-2,6-dimethoxyphenol
CID 91244154

Frequently Asked Questions

What is the IUPAC name of bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite?
The IUPAC name of bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite (CID 69443369) is bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite.
What is the SMILES notation for bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite?
The canonical SMILES for bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite is COc1ccc(COP(O)OCc2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite?
The InChIKey is NAMIALUNKOUUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O7P/c1-20-15-7-5-13(17(9-15)22-3)11-24-26(19)25-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3.
What are the key properties of bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite?
bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite has a molecular weight of 382.35 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite is sourced from PubChem (CID 69443369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).