4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one

C16H23O7P — CID 85121259

IUPAC4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one
SMILESCOc1cc(C=CC(=O)C(C)(C)P(=O)(OC)OC)cc(OC)c1O
InChIInChI=1S/C16H23O7P/c1-16(2,24(19,22-5)23-6)14(17)8-7-11-9-12(20-3)15(18)13(10-11)21-4/h7-10,18H,1-6H3
InChIKeyNOFIRHXDPIREME-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.26
Rot. Bonds8

About 4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one

4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one (PubChem CID 85121259) has the molecular formula C16H23O7P and a molecular weight of 358.33 g/mol. Its IUPAC name is 4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one.

Molecular Properties

Compound Name4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one
PubChem CID85121259
Molecular FormulaC16H23O7P
Molecular Weight358.33 g/mol
Exact Mass358.12
IUPAC Name4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one
SMILESCOc1cc(C=CC(=O)C(C)(C)P(=O)(OC)OC)cc(OC)c1O
InChIInChI=1S/C16H23O7P/c1-16(2,24(19,22-5)23-6)14(17)8-7-11-9-12(20-3)15(18)13(10-11)21-4/h7-10,18H,1-6H3
InChIKeyNOFIRHXDPIREME-UHFFFAOYSA-N
XLogP3.26
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-dimethoxyphosphoryl-1-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylpent-1-en-3-one
CID 85115105
2-hydroxy-2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]propanedioate
CID 20980847
sodium (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 139662068
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
1-(4-hydroxy-3,5-dimethoxyphenyl)penta-1,4-dien-3-one
CID 68601857
acetyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 87453578
(1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 73438577
sulfo 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 162822304
(E)-4-(3,5-ditert-butylphenyl)-1-dimethoxyphosphoryl-1,1-difluorobut-3-en-2-one
CID 10069674
(1E,6E)-1,7-bis(3,4-dihydroxy-5-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 10200979
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylhepta-1,6-diene-3,5-dione
CID 22402054
(E)-1-(3,5-ditert-butylphenyl)-4-dimethoxyphosphoryl-4-methylhex-1-en-3-one
CID 11742195

Frequently Asked Questions

What is the IUPAC name of 4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one?
The IUPAC name of 4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one (CID 85121259) is 4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one.
What is the SMILES notation for 4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one?
The canonical SMILES for 4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one is COc1cc(C=CC(=O)C(C)(C)P(=O)(OC)OC)cc(OC)c1O.
What is the InChIKey of 4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one?
The InChIKey is NOFIRHXDPIREME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O7P/c1-16(2,24(19,22-5)23-6)14(17)8-7-11-9-12(20-3)15(18)13(10-11)21-4/h7-10,18H,1-6H3.
What are the key properties of 4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one?
4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one has a molecular weight of 358.33 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphoryl-1-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylpent-1-en-3-one is sourced from PubChem (CID 85121259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).