4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane

C14H14O5 — CID 143290579

IUPAC4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
SMILESCC.Cc1cc(=O)c2c(O)c3ccoc3c(O)c2o1
InChIInChI=1S/C12H8O5.C2H6/c1-5-4-7(13)8-9(14)6-2-3-16-11(6)10(15)12(8)17-5;1-2/h2-4,14-15H,1H3;1-2H3
InChIKeyNVMAEDRPRXPOPF-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.29
Rot. Bonds

About 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane

4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane (PubChem CID 143290579) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane.

Molecular Properties

Compound Name4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
PubChem CID143290579
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
SMILESCC.Cc1cc(=O)c2c(O)c3ccoc3c(O)c2o1
InChIInChI=1S/C12H8O5.C2H6/c1-5-4-7(13)8-9(14)6-2-3-16-11(6)10(15)12(8)17-5;1-2/h2-4,14-15H,1H3;1-2H3
InChIKeyNVMAEDRPRXPOPF-UHFFFAOYSA-N
XLogP3.29
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one
CID 160707353
1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea
CID 10040708
1-ethyl-3-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)thiourea
CID 10403582
4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
CID 11509693
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione
CID 153362053
ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one
CID 143652322
5,8-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 75361247
5-hydroxy-2,6-dimethylchromen-4-one
CID 170989896
5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione
CID 42631475
9-methoxy-7-methyl-4-phenylmethoxyfuro[3,2-g]chromen-5-one
CID 11537346

Frequently Asked Questions

What is the IUPAC name of 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane?
The IUPAC name of 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane (CID 143290579) is 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane.
What is the SMILES notation for 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane?
The canonical SMILES for 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane is CC.Cc1cc(=O)c2c(O)c3ccoc3c(O)c2o1.
What is the InChIKey of 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane?
The InChIKey is NVMAEDRPRXPOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5.C2H6/c1-5-4-7(13)8-9(14)6-2-3-16-11(6)10(15)12(8)17-5;1-2/h2-4,14-15H,1H3;1-2H3.
What are the key properties of 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane?
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane has a molecular weight of 262.26 g/mol, XLogP of 3.29, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane is sourced from PubChem (CID 143290579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).