3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane

C22H19BrO — CID 145193800

IUPAC3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane
SMILESCC.Oc1cc2ccccc2cc1-c1ccc2ccccc2c1Br
InChIInChI=1S/C20H13BrO.C2H6/c21-20-16-8-4-3-5-13(16)9-10-17(20)18-11-14-6-1-2-7-15(14)12-19(18)22;1-2/h1-12,22H;1-2H3
InChIKeyXEWSFJSIRYIXQW-UHFFFAOYSA-N
MW379.30 g/mol
LogP7.15
Rot. Bonds1

About 3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane

3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane (PubChem CID 145193800) has the molecular formula C22H19BrO and a molecular weight of 379.30 g/mol. Its IUPAC name is 3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane.

Molecular Properties

Compound Name3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane
PubChem CID145193800
Molecular FormulaC22H19BrO
Molecular Weight379.30 g/mol
Exact Mass378.06
IUPAC Name3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane
SMILESCC.Oc1cc2ccccc2cc1-c1ccc2ccccc2c1Br
InChIInChI=1S/C20H13BrO.C2H6/c21-20-16-8-4-3-5-13(16)9-10-17(20)18-11-14-6-1-2-7-15(14)12-19(18)22;1-2/h1-12,22H;1-2H3
InChIKeyXEWSFJSIRYIXQW-UHFFFAOYSA-N
XLogP7.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.30
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene
CID 71484457
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1-bromo-2-phenylnaphthalene
CID 10956972
3-(1-bromonaphthalen-2-yl)thiophene
CID 68643635
phenanthrene-2,3-diol
CID 23048019
ethane;naphthalen-2-ol
CID 91107047
3-(4-hydroxyphenyl)naphthalen-2-ol
CID 173247043
ethane;methane;phenanthrene
CID 144938954
sodium naphthalene-2,3-diol
CID 23069442
naphthalene-2,3-diol;titanium
CID 87616563
ethane;methane;phenanthrene
CID 144939263
phenanthren-3-ol
CID 73057263

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane?
The IUPAC name of 3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane (CID 145193800) is 3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane.
What is the SMILES notation for 3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane?
The canonical SMILES for 3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane is CC.Oc1cc2ccccc2cc1-c1ccc2ccccc2c1Br.
What is the InChIKey of 3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane?
The InChIKey is XEWSFJSIRYIXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrO.C2H6/c21-20-16-8-4-3-5-13(16)9-10-17(20)18-11-14-6-1-2-7-15(14)12-19(18)22;1-2/h1-12,22H;1-2H3.
What are the key properties of 3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane?
3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane has a molecular weight of 379.30 g/mol, XLogP of 7.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane is sourced from PubChem (CID 145193800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).