[1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate

C38H41O13P — CID 78056552

IUPAC[1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate
SMILESCOc1ccccc1COC1=C(OCc2ccccc2OC)C(C(CO)OP(=O)(OCc2ccccc2OC)OCc2ccccc2OC)OC1=O
InChIInChI=1S/C38H41O13P/c1-42-30-17-9-5-13-26(30)22-46-36-35(50-38(40)37(36)47-23-27-14-6-10-18-31(27)43-2)34(21-39)51-52(41,48-24-28-15-7-11-19-32(28)44-3)49-25-29-16-8-12-20-33(29)45-4/h5-20,34-35,39H,21-25H2,1-4H3
InChIKeyMVYGOAKDSLNXRA-UHFFFAOYSA-N
MW736.71 g/mol
LogP6.51
Rot. Bonds20

About [1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate

[1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate (PubChem CID 78056552) has the molecular formula C38H41O13P and a molecular weight of 736.71 g/mol. Its IUPAC name is [1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate.

Molecular Properties

Compound Name[1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate
PubChem CID78056552
Molecular FormulaC38H41O13P
Molecular Weight736.71 g/mol
Exact Mass736.23
IUPAC Name[1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate
SMILESCOc1ccccc1COC1=C(OCc2ccccc2OC)C(C(CO)OP(=O)(OCc2ccccc2OC)OCc2ccccc2OC)OC1=O
InChIInChI=1S/C38H41O13P/c1-42-30-17-9-5-13-26(30)22-46-36-35(50-38(40)37(36)47-23-27-14-6-10-18-31(27)43-2)34(21-39)51-52(41,48-24-28-15-7-11-19-32(28)44-3)49-25-29-16-8-12-20-33(29)45-4/h5-20,34-35,39H,21-25H2,1-4H3
InChIKeyMVYGOAKDSLNXRA-UHFFFAOYSA-N
XLogP6.51
TPSA146.67 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500736.71
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

[1-[3,4-bis[(3,6-dichloro-2-fluorophenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3,6-dichloro-2-fluorophenyl)methyl] phosphate
CID 78132110
(5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione
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CID 9470380
4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 10710216
7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one
CID 800958
4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
1-iodo-2-[(2-methoxyphenyl)methoxy]benzene
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2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol
CID 115086826
(1S)-1-[4-[(2-methoxyphenyl)methoxy]phenyl]ethanol
CID 78930283

Frequently Asked Questions

What is the IUPAC name of [1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate?
The IUPAC name of [1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate (CID 78056552) is [1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate.
What is the SMILES notation for [1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate?
The canonical SMILES for [1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate is COc1ccccc1COC1=C(OCc2ccccc2OC)C(C(CO)OP(=O)(OCc2ccccc2OC)OCc2ccccc2OC)OC1=O.
What is the InChIKey of [1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate?
The InChIKey is MVYGOAKDSLNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41O13P/c1-42-30-17-9-5-13-26(30)22-46-36-35(50-38(40)37(36)47-23-27-14-6-10-18-31(27)43-2)34(21-39)51-52(41,48-24-28-15-7-11-19-32(28)44-3)49-25-29-16-8-12-20-33(29)45-4/h5-20,34-35,39H,21-25H2,1-4H3.
What are the key properties of [1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate?
[1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate has a molecular weight of 736.71 g/mol, XLogP of 6.51, 20 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,4-bis[(2-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-methoxyphenyl)methyl] phosphate is sourced from PubChem (CID 78056552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).