[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate

C23H23O8P — CID 21410784

IUPAC[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate
SMILESCOc1cc(OC)c(C(=O)Cc2ccc(OP(=O)(O)Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C23H23O8P/c1-27-19-14-21(28-2)23(22(15-19)29-3)20(24)13-16-9-11-18(12-10-16)31-32(25,26)30-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,25,26)
InChIKeyRVHQLMPMRRINRD-UHFFFAOYSA-N
MW458.40 g/mol
LogP4.70
Rot. Bonds10

About [4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate

[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate (PubChem CID 21410784) has the molecular formula C23H23O8P and a molecular weight of 458.40 g/mol. Its IUPAC name is [4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate.

Molecular Properties

Compound Name[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate
PubChem CID21410784
Molecular FormulaC23H23O8P
Molecular Weight458.40 g/mol
Exact Mass458.11
IUPAC Name[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate
SMILESCOc1cc(OC)c(C(=O)Cc2ccc(OP(=O)(O)Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C23H23O8P/c1-27-19-14-21(28-2)23(22(15-19)29-3)20(24)13-16-9-11-18(12-10-16)31-32(25,26)30-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,25,26)
InChIKeyRVHQLMPMRRINRD-UHFFFAOYSA-N
XLogP4.70
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 54.70
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

[4-[3-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]propanoyl]-3,5-di(propanoyloxy)phenyl] propanoate
CID 21410384
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
sodium [3-[3-oxo-3-(2,4,6-trimethoxyphenyl)propyl]phenyl] phenyl phosphate
CID 23708476
(3,5-dimethylphenyl) [4-[3-(2,4,6-trimethoxyphenyl)propyl]phenyl] hydrogen phosphate
CID 21401919
9-O-[3,5-dimethoxy-2-[2-(4-methoxyphenyl)acetyl]phenyl] 1-O-methyl nonanedioate
CID 15840218
3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione
CID 606893
(4-methylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] hydrogen phosphate
CID 21410631
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
2-phenylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191547
bis[4-[3-(2,4-dimethoxyphenyl)propanoyl]-3-methoxyphenyl] hydrogen phosphate
CID 21436861
diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224

Frequently Asked Questions

What is the IUPAC name of [4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate?
The IUPAC name of [4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate (CID 21410784) is [4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate.
What is the SMILES notation for [4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate?
The canonical SMILES for [4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate is COc1cc(OC)c(C(=O)Cc2ccc(OP(=O)(O)Oc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of [4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate?
The InChIKey is RVHQLMPMRRINRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O8P/c1-27-19-14-21(28-2)23(22(15-19)29-3)20(24)13-16-9-11-18(12-10-16)31-32(25,26)30-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,25,26).
What are the key properties of [4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate?
[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate has a molecular weight of 458.40 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate is sourced from PubChem (CID 21410784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).