methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate

C25H28O11 — CID 102063488

IUPACmethyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate
SMILESCOCOc1cc(OC)ccc1CC1(C(=O)OC)OC(=O)C(O)=C1c1ccc(OC)cc1OCOC
InChIInChI=1S/C25H28O11/c1-29-13-34-19-10-16(31-3)7-6-15(19)12-25(24(28)33-5)21(22(26)23(27)36-25)18-9-8-17(32-4)11-20(18)35-14-30-2/h6-11,26H,12-14H2,1-5H3
InChIKeyDFRVGYPLLGTACA-UHFFFAOYSA-N
MW504.49 g/mol
LogP2.65
Rot. Bonds12

About methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate

methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate (PubChem CID 102063488) has the molecular formula C25H28O11 and a molecular weight of 504.49 g/mol. Its IUPAC name is methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate
PubChem CID102063488
Molecular FormulaC25H28O11
Molecular Weight504.49 g/mol
Exact Mass504.16
IUPAC Namemethyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate
SMILESCOCOc1cc(OC)ccc1CC1(C(=O)OC)OC(=O)C(O)=C1c1ccc(OC)cc1OCOC
InChIInChI=1S/C25H28O11/c1-29-13-34-19-10-16(31-3)7-6-15(19)12-25(24(28)33-5)21(22(26)23(27)36-25)18-9-8-17(32-4)11-20(18)35-14-30-2/h6-11,26H,12-14H2,1-5H3
InChIKeyDFRVGYPLLGTACA-UHFFFAOYSA-N
XLogP2.65
TPSA128.21 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate
CID 6712670
methyl (2R)-4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-[[4-(3-methylbut-2-enoxy)-3-(3-methylbut-2-enyl)phenyl]methyl]-5-oxofuran-2-carboxylate
CID 122362384
dimethyl 6-methoxy-1-oxo-4H-isochromene-3,3-dicarboxylate
CID 2752718
(4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone
CID 68911946
2-[2,4-bis(methoxymethoxy)phenyl]ethanol
CID 175027398
4-methoxy-2-(methoxymethoxy)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 10781559
2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
CID 118066872
methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate
CID 23147496
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde
CID 22131273

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate (CID 102063488) is methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate is COCOc1cc(OC)ccc1CC1(C(=O)OC)OC(=O)C(O)=C1c1ccc(OC)cc1OCOC.
What is the InChIKey of methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate?
The InChIKey is DFRVGYPLLGTACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O11/c1-29-13-34-19-10-16(31-3)7-6-15(19)12-25(24(28)33-5)21(22(26)23(27)36-25)18-9-8-17(32-4)11-20(18)35-14-30-2/h6-11,26H,12-14H2,1-5H3.
What are the key properties of methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate?
methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate has a molecular weight of 504.49 g/mol, XLogP of 2.65, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate is sourced from PubChem (CID 102063488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).