3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C20H13BrO2 — CID 101402327

IUPAC3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)c(Br)cc2ccccc12
InChIInChI=1S/C20H13BrO2/c21-16-11-13-6-2-4-8-15(13)19(20(16)23)18-14-7-3-1-5-12(14)9-10-17(18)22/h1-11,22-23H
InChIKeyOCPXQRKKHRXUBQ-UHFFFAOYSA-N
MW365.23 g/mol
LogP5.83
Rot. Bonds1

About 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 101402327) has the molecular formula C20H13BrO2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID101402327
Molecular FormulaC20H13BrO2
Molecular Weight365.23 g/mol
Exact Mass364.01
IUPAC Name3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)c(Br)cc2ccccc12
InChIInChI=1S/C20H13BrO2/c21-16-11-13-6-2-4-8-15(13)19(20(16)23)18-14-7-3-1-5-12(14)9-10-17(18)22/h1-11,22-23H
InChIKeyOCPXQRKKHRXUBQ-UHFFFAOYSA-N
XLogP5.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.23
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854
3-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methoxymethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10985666
3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol
CID 66557323
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135524809
6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium
CID 88689430
3-[[ethyl-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methyl]amino]methyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101274388

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 101402327) is 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(O)c(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is OCPXQRKKHRXUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrO2/c21-16-11-13-6-2-4-8-15(13)19(20(16)23)18-14-7-3-1-5-12(14)9-10-17(18)22/h1-11,22-23H.
What are the key properties of 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 365.23 g/mol, XLogP of 5.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 101402327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).