4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol

C16H12O5 — CID 174921890

IUPAC4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol
SMILESOC=c1cc2cc(-c3ccc(O)cc3O)oc2cc1=CO
InChIInChI=1S/C16H12O5/c17-7-10-3-9-4-16(21-15(9)5-11(10)8-18)13-2-1-12(19)6-14(13)20/h1-8,17-20H
InChIKeyBTHGMDHRQYSZNN-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.10
Rot. Bonds1

About 4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol

4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol (PubChem CID 174921890) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol
PubChem CID174921890
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol
SMILESOC=c1cc2cc(-c3ccc(O)cc3O)oc2cc1=CO
InChIInChI=1S/C16H12O5/c17-7-10-3-9-4-16(21-15(9)5-11(10)8-18)13-2-1-12(19)6-14(13)20/h1-8,17-20H
InChIKeyBTHGMDHRQYSZNN-UHFFFAOYSA-N
XLogP2.10
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
CID 641806
4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol
CID 174932335
3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
CID 114735944
2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol
CID 21022043
2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol
CID 148908123
4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
CID 135522275
2-[5-(2-hydroxyethyl)-1-benzofuran-2-yl]-5-methoxyphenol
CID 141202465
2-(4-hydroxy-1-benzofuran-6-yl)-1-benzofuran-6-ol
CID 129169005
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
2-(4-methoxyphenyl)-1-benzofuran-6-ol
CID 14887928
6-hydroxy-3-oxoxanthene-1-carboxylic acid
CID 87871396
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769

Frequently Asked Questions

What is the IUPAC name of 4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol (CID 174921890) is 4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol is OC=c1cc2cc(-c3ccc(O)cc3O)oc2cc1=CO.
What is the InChIKey of 4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol?
The InChIKey is BTHGMDHRQYSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c17-7-10-3-9-4-16(21-15(9)5-11(10)8-18)13-2-1-12(19)6-14(13)20/h1-8,17-20H.
What are the key properties of 4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol?
4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol has a molecular weight of 284.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol is sourced from PubChem (CID 174921890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).