1,3,4,6-tetramethoxydibenzofuran-2,7-diol

C16H16O7 — CID 10403706

IUPAC1,3,4,6-tetramethoxydibenzofuran-2,7-diol
SMILESCOc1c(O)c(OC)c2c(oc3c(OC)c(O)ccc32)c1OC
InChIInChI=1S/C16H16O7/c1-19-12-8(17)6-5-7-9-13(20-2)10(18)15(21-3)16(22-4)14(9)23-11(7)12/h5-6,17-18H,1-4H3
InChIKeyQPJPNKHHNVCLCF-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.03
Rot. Bonds4

About 1,3,4,6-tetramethoxydibenzofuran-2,7-diol

1,3,4,6-tetramethoxydibenzofuran-2,7-diol (PubChem CID 10403706) has the molecular formula C16H16O7 and a molecular weight of 320.30 g/mol. Its IUPAC name is 1,3,4,6-tetramethoxydibenzofuran-2,7-diol.

Molecular Properties

Compound Name1,3,4,6-tetramethoxydibenzofuran-2,7-diol
PubChem CID10403706
Molecular FormulaC16H16O7
Molecular Weight320.30 g/mol
Exact Mass320.09
IUPAC Name1,3,4,6-tetramethoxydibenzofuran-2,7-diol
SMILESCOc1c(O)c(OC)c2c(oc3c(OC)c(O)ccc32)c1OC
InChIInChI=1S/C16H16O7/c1-19-12-8(17)6-5-7-9-13(20-2)10(18)15(21-3)16(22-4)14(9)23-11(7)12/h5-6,17-18H,1-4H3
InChIKeyQPJPNKHHNVCLCF-UHFFFAOYSA-N
XLogP3.03
TPSA90.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,4,7-tetramethoxydibenzofuran-1,6-diol
CID 171115286
6-hydroxy-5,7,8-trimethoxychromen-2-one
CID 86221763
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 10643114
1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
CID 10016947
3-hydroxy-7-(2-hydroxyethyl)-4-methoxybenzo[c]chromen-6-one
CID 171935946
1,3,6-trihydroxy-5-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
CID 14886043
1,5,8-trihydroxy-3,4-dimethoxyxanthen-9-one
CID 86183532
3-hydroxy-1,2,4-trimethoxyxanthen-9-one
CID 5386265
2,4,6-trimethoxybenzene-1,3,5-triol
CID 102382483
2,4-dihydroxy-1,5,6-trimethoxyxanthen-9-one
CID 162973215
4,6-difluoro-7-methoxydibenzofuran-3-ol
CID 118372765
1,6-dihydroxy-2,3,4-trimethoxy-8-methylxanthen-9-one
CID 11186597

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethoxydibenzofuran-2,7-diol?
The IUPAC name of 1,3,4,6-tetramethoxydibenzofuran-2,7-diol (CID 10403706) is 1,3,4,6-tetramethoxydibenzofuran-2,7-diol.
What is the SMILES notation for 1,3,4,6-tetramethoxydibenzofuran-2,7-diol?
The canonical SMILES for 1,3,4,6-tetramethoxydibenzofuran-2,7-diol is COc1c(O)c(OC)c2c(oc3c(OC)c(O)ccc32)c1OC.
What is the InChIKey of 1,3,4,6-tetramethoxydibenzofuran-2,7-diol?
The InChIKey is QPJPNKHHNVCLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O7/c1-19-12-8(17)6-5-7-9-13(20-2)10(18)15(21-3)16(22-4)14(9)23-11(7)12/h5-6,17-18H,1-4H3.
What are the key properties of 1,3,4,6-tetramethoxydibenzofuran-2,7-diol?
1,3,4,6-tetramethoxydibenzofuran-2,7-diol has a molecular weight of 320.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethoxydibenzofuran-2,7-diol is sourced from PubChem (CID 10403706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).