2-bromonaphthalene-1,8-diol

C10H7BrO2 — CID 23297382

IUPAC2-bromonaphthalene-1,8-diol
SMILESOc1cccc2ccc(Br)c(O)c12
InChIInChI=1S/C10H7BrO2/c11-7-5-4-6-2-1-3-8(12)9(6)10(7)13/h1-5,12-13H
InChIKeyBNFMJVXMUSCSFQ-UHFFFAOYSA-N
MW239.07 g/mol
LogP3.01
Rot. Bonds

About 2-bromonaphthalene-1,8-diol

2-bromonaphthalene-1,8-diol (PubChem CID 23297382) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-bromonaphthalene-1,8-diol.

Molecular Properties

Compound Name2-bromonaphthalene-1,8-diol
PubChem CID23297382
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name2-bromonaphthalene-1,8-diol
SMILESOc1cccc2ccc(Br)c(O)c12
InChIInChI=1S/C10H7BrO2/c11-7-5-4-6-2-1-3-8(12)9(6)10(7)13/h1-5,12-13H
InChIKeyBNFMJVXMUSCSFQ-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromonaphthalene-1,8-diol?
The IUPAC name of 2-bromonaphthalene-1,8-diol (CID 23297382) is 2-bromonaphthalene-1,8-diol.
What is the SMILES notation for 2-bromonaphthalene-1,8-diol?
The canonical SMILES for 2-bromonaphthalene-1,8-diol is Oc1cccc2ccc(Br)c(O)c12.
What is the InChIKey of 2-bromonaphthalene-1,8-diol?
The InChIKey is BNFMJVXMUSCSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2/c11-7-5-4-6-2-1-3-8(12)9(6)10(7)13/h1-5,12-13H.
What are the key properties of 2-bromonaphthalene-1,8-diol?
2-bromonaphthalene-1,8-diol has a molecular weight of 239.07 g/mol, XLogP of 3.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromonaphthalene-1,8-diol is sourced from PubChem (CID 23297382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).