bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate

C18H23O8P — CID 164613132

IUPACbis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate
SMILESCOc1cc(CCOP(=O)(O)OCCc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C18H23O8P/c1-23-17-11-13(3-5-15(17)19)7-9-25-27(21,22)26-10-8-14-4-6-16(20)18(12-14)24-2/h3-6,11-12,19-20H,7-10H2,1-2H3,(H,21,22)
InChIKeyVYSMYRAXQIEHBN-UHFFFAOYSA-N
MW398.35 g/mol
LogP3.03
Rot. Bonds10

About bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate

bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate (PubChem CID 164613132) has the molecular formula C18H23O8P and a molecular weight of 398.35 g/mol. Its IUPAC name is bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate.

Molecular Properties

Compound Namebis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate
PubChem CID164613132
Molecular FormulaC18H23O8P
Molecular Weight398.35 g/mol
Exact Mass398.11
IUPAC Namebis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate
SMILESCOc1cc(CCOP(=O)(O)OCCc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C18H23O8P/c1-23-17-11-13(3-5-15(17)19)7-9-25-27(21,22)26-10-8-14-4-6-16(20)18(12-14)24-2/h3-6,11-12,19-20H,7-10H2,1-2H3,(H,21,22)
InChIKeyVYSMYRAXQIEHBN-UHFFFAOYSA-N
XLogP3.03
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
CID 175936648
CID 175936648
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
4-(2-azidoethyl)-2-methoxyphenol;methane
CID 167709362
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
(3,4-dimethoxyphenyl)methyl 2-nitrosoethyl hydrogen phosphate
CID 163463684
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate?
The IUPAC name of bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate (CID 164613132) is bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate.
What is the SMILES notation for bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate?
The canonical SMILES for bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate is COc1cc(CCOP(=O)(O)OCCc2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate?
The InChIKey is VYSMYRAXQIEHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O8P/c1-23-17-11-13(3-5-15(17)19)7-9-25-27(21,22)26-10-8-14-4-6-16(20)18(12-14)24-2/h3-6,11-12,19-20H,7-10H2,1-2H3,(H,21,22).
What are the key properties of bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate?
bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate has a molecular weight of 398.35 g/mol, XLogP of 3.03, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate is sourced from PubChem (CID 164613132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).