1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol

C20H12Br2O — CID 67157613

IUPAC1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(Br)c(Br)cc2ccccc12
InChIInChI=1S/C20H12Br2O/c21-16-11-13-6-2-4-8-15(13)19(20(16)22)18-14-7-3-1-5-12(14)9-10-17(18)23/h1-11,23H
InChIKeyJIEFILDRAJQBFW-UHFFFAOYSA-N
MW428.12 g/mol
LogP6.89
Rot. Bonds1

About 1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol

1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol (PubChem CID 67157613) has the molecular formula C20H12Br2O and a molecular weight of 428.12 g/mol. Its IUPAC name is 1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
PubChem CID67157613
Molecular FormulaC20H12Br2O
Molecular Weight428.12 g/mol
Exact Mass425.93
IUPAC Name1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(Br)c(Br)cc2ccccc12
InChIInChI=1S/C20H12Br2O/c21-16-11-13-6-2-4-8-15(13)19(20(16)22)18-14-7-3-1-5-12(14)9-10-17(18)23/h1-11,23H
InChIKeyJIEFILDRAJQBFW-UHFFFAOYSA-N
XLogP6.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.12
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dibromonaphthalen-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

3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854
6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10018263
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
2-(2-bromonaphthalen-1-yl)phenol
CID 122642120
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol (CID 67157613) is 1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(Br)c(Br)cc2ccccc12.
What is the InChIKey of 1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is JIEFILDRAJQBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2O/c21-16-11-13-6-2-4-8-15(13)19(20(16)22)18-14-7-3-1-5-12(14)9-10-17(18)23/h1-11,23H.
What are the key properties of 1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol?
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 428.12 g/mol, XLogP of 6.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 67157613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).