2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol

C22H13ClO3 — CID 162700640

IUPAC2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol
SMILESOc1cc2ccccc2c(O)c1-c1cccc2oc3cc(Cl)ccc3c12
InChIInChI=1S/C22H13ClO3/c23-13-8-9-15-19(11-13)26-18-7-3-6-16(20(15)18)21-17(24)10-12-4-1-2-5-14(12)22(21)25/h1-11,24-25H
InChIKeyLFVYTXVESXQWAY-UHFFFAOYSA-N
MW360.80 g/mol
LogP6.47
Rot. Bonds1

About 2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol

2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol (PubChem CID 162700640) has the molecular formula C22H13ClO3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol.

Molecular Properties

Compound Name2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol
PubChem CID162700640
Molecular FormulaC22H13ClO3
Molecular Weight360.80 g/mol
Exact Mass360.06
IUPAC Name2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol
SMILESOc1cc2ccccc2c(O)c1-c1cccc2oc3cc(Cl)ccc3c12
InChIInChI=1S/C22H13ClO3/c23-13-8-9-15-19(11-13)26-18-7-3-6-16(20(15)18)21-17(24)10-12-4-1-2-5-14(12)22(21)25/h1-11,24-25H
InChIKeyLFVYTXVESXQWAY-UHFFFAOYSA-N
XLogP6.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.80
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran
CID 156695180
2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741757
7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran
CID 174362886
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
2-(7-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171587100
2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 162471283
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365
7-chloro-2-naphthalen-1-yldibenzofuran
CID 171597258
1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol
CID 171447261
4-chloro-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 167121541
8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 170396344
dibenzofuran-1-ol;2-(2-fluorophenyl)benzene-1,3-diol
CID 158363428

Frequently Asked Questions

What is the IUPAC name of 2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol?
The IUPAC name of 2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol (CID 162700640) is 2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol.
What is the SMILES notation for 2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol?
The canonical SMILES for 2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol is Oc1cc2ccccc2c(O)c1-c1cccc2oc3cc(Cl)ccc3c12.
What is the InChIKey of 2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol?
The InChIKey is LFVYTXVESXQWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClO3/c23-13-8-9-15-19(11-13)26-18-7-3-6-16(20(15)18)21-17(24)10-12-4-1-2-5-14(12)22(21)25/h1-11,24-25H.
What are the key properties of 2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol?
2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol has a molecular weight of 360.80 g/mol, XLogP of 6.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol is sourced from PubChem (CID 162700640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).