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

C20H13BrO2 — CID 10808802

IUPAC6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C20H13BrO2/c21-14-7-8-16-13(11-14)6-10-18(23)20(16)19-15-4-2-1-3-12(15)5-9-17(19)22/h1-11,22-23H
InChIKeyAYCWOJDHYWCEHK-UHFFFAOYSA-N
MW365.23 g/mol
LogP5.83
Rot. Bonds1

About 6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 10808802) has the molecular formula C20H13BrO2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID10808802
Molecular FormulaC20H13BrO2
Molecular Weight365.23 g/mol
Exact Mass364.01
IUPAC Name6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C20H13BrO2/c21-14-7-8-16-13(11-14)6-10-18(23)20(16)19-15-4-2-1-3-12(15)5-9-17(19)22/h1-11,22-23H
InChIKeyAYCWOJDHYWCEHK-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 10808802) is 6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is AYCWOJDHYWCEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrO2/c21-14-7-8-16-13(11-14)6-10-18(23)20(16)19-15-4-2-1-3-12(15)5-9-17(19)22/h1-11,22-23H.
What are the key properties of 6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
6-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 6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 10808802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).