7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol

C21H18O6 — CID 139590543

IUPAC7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol
SMILESCOc1cc2oc3c(OC)c(-c4ccc(O)cc4)cc(OC)c3c2cc1O
InChIInChI=1S/C21H18O6/c1-24-17-10-16-14(8-15(17)23)19-18(25-2)9-13(20(26-3)21(19)27-16)11-4-6-12(22)7-5-11/h4-10,22-23H,1-3H3
InChIKeyQOPBYJBEUNTVLD-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.69
Rot. Bonds4

About 7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol

7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol (PubChem CID 139590543) has the molecular formula C21H18O6 and a molecular weight of 366.37 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol
PubChem CID139590543
Molecular FormulaC21H18O6
Molecular Weight366.37 g/mol
Exact Mass366.11
IUPAC Name7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol
SMILESCOc1cc2oc3c(OC)c(-c4ccc(O)cc4)cc(OC)c3c2cc1O
InChIInChI=1S/C21H18O6/c1-24-17-10-16-14(8-15(17)23)19-18(25-2)9-13(20(26-3)21(19)27-16)11-4-6-12(22)7-5-11/h4-10,22-23H,1-3H3
InChIKeyQOPBYJBEUNTVLD-UHFFFAOYSA-N
XLogP4.69
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol?
The IUPAC name of 7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol (CID 139590543) is 7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol.
What is the SMILES notation for 7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol?
The canonical SMILES for 7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol is COc1cc2oc3c(OC)c(-c4ccc(O)cc4)cc(OC)c3c2cc1O.
What is the InChIKey of 7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol?
The InChIKey is QOPBYJBEUNTVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O6/c1-24-17-10-16-14(8-15(17)23)19-18(25-2)9-13(20(26-3)21(19)27-16)11-4-6-12(22)7-5-11/h4-10,22-23H,1-3H3.
What are the key properties of 7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol?
7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol has a molecular weight of 366.37 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol is sourced from PubChem (CID 139590543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).