3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one

C16H14O7 — CID 177483875

IUPAC3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one
SMILESCOc1ccc(C(C2=C(O)COC2=O)C2=C(O)COC2=O)cc1
InChIInChI=1S/C16H14O7/c1-21-9-4-2-8(3-5-9)12(13-10(17)6-22-15(13)19)14-11(18)7-23-16(14)20/h2-5,12,17-18H,6-7H2,1H3
InChIKeyQCPWGFXWLNVIFW-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.52
Rot. Bonds4

About 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one

3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one (PubChem CID 177483875) has the molecular formula C16H14O7 and a molecular weight of 318.28 g/mol. Its IUPAC name is 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one
PubChem CID177483875
Molecular FormulaC16H14O7
Molecular Weight318.28 g/mol
Exact Mass318.07
IUPAC Name3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one
SMILESCOc1ccc(C(C2=C(O)COC2=O)C2=C(O)COC2=O)cc1
InChIInChI=1S/C16H14O7/c1-21-9-4-2-8(3-5-9)12(13-10(17)6-22-15(13)19)14-11(18)7-23-16(14)20/h2-5,12,17-18H,6-7H2,1H3
InChIKeyQCPWGFXWLNVIFW-UHFFFAOYSA-N
XLogP1.52
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one with MolForge

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Related Compounds

1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
(4-methoxyphenyl)methanedithiol
CID 19893185
4-[bis(4-methoxyphenyl)methyl]cyclohexa-2,4-dien-1-one
CID 21182579
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
CID 14057718
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol
CID 175586674

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one?
The IUPAC name of 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one (CID 177483875) is 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one is COc1ccc(C(C2=C(O)COC2=O)C2=C(O)COC2=O)cc1.
What is the InChIKey of 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one?
The InChIKey is QCPWGFXWLNVIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O7/c1-21-9-4-2-8(3-5-9)12(13-10(17)6-22-15(13)19)14-11(18)7-23-16(14)20/h2-5,12,17-18H,6-7H2,1H3.
What are the key properties of 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one?
3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one has a molecular weight of 318.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one is sourced from PubChem (CID 177483875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).