4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol

C22H14O3 — CID 18687862

IUPAC4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol
SMILESOc1ccc(-c2c3ccccc3cc3oc4ccccc4c23)c(O)c1
InChIInChI=1S/C22H14O3/c23-14-9-10-16(18(24)12-14)21-15-6-2-1-5-13(15)11-20-22(21)17-7-3-4-8-19(17)25-20/h1-12,23-24H
InChIKeyBPAUGARAFXWPDE-UHFFFAOYSA-N
MW326.35 g/mol
LogP5.82
Rot. Bonds1

About 4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol

4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol (PubChem CID 18687862) has the molecular formula C22H14O3 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol
PubChem CID18687862
Molecular FormulaC22H14O3
Molecular Weight326.35 g/mol
Exact Mass326.09
IUPAC Name4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol
SMILESOc1ccc(-c2c3ccccc3cc3oc4ccccc4c23)c(O)c1
InChIInChI=1S/C22H14O3/c23-14-9-10-16(18(24)12-14)21-15-6-2-1-5-13(15)11-20-22(21)17-7-3-4-8-19(17)25-20/h1-12,23-24H
InChIKeyBPAUGARAFXWPDE-UHFFFAOYSA-N
XLogP5.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.35
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 155334130
11-naphtho[1,2-b][1]benzothiol-5-ylnaphtho[2,3-b][1]benzofuran
CID 54020986
2-indeno[1,2-c]chromen-6-ylphenol
CID 102205872
CID 167419830
CID 167419830
6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
CID 118655954
2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
CID 171730912
1,3-dihydroxyxanthen-9-one
CID 5488193
1-anthracen-9-yldibenzofuran-2,3,4-triol
CID 142377523
2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017180
4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 147449169
anthra[2,1-b][1]benzofuran
CID 59403890
dibenzofuran-1-ol;2-(2-fluorophenyl)benzene-1,3-diol
CID 158363428

Frequently Asked Questions

What is the IUPAC name of 4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol?
The IUPAC name of 4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol (CID 18687862) is 4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol.
What is the SMILES notation for 4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol?
The canonical SMILES for 4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol is Oc1ccc(-c2c3ccccc3cc3oc4ccccc4c23)c(O)c1.
What is the InChIKey of 4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol?
The InChIKey is BPAUGARAFXWPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O3/c23-14-9-10-16(18(24)12-14)21-15-6-2-1-5-13(15)11-20-22(21)17-7-3-4-8-19(17)25-20/h1-12,23-24H.
What are the key properties of 4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol?
4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol has a molecular weight of 326.35 g/mol, XLogP of 5.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol is sourced from PubChem (CID 18687862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).