3,8-dibromonaphthalen-1-ol

C10H6Br2O — CID 142668001

IUPAC3,8-dibromonaphthalen-1-ol
SMILESOc1cc(Br)cc2cccc(Br)c12
InChIInChI=1S/C10H6Br2O/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-5,13H
InChIKeyKOYDYHLWGPBWHN-UHFFFAOYSA-N
MW301.97 g/mol
LogP4.07
Rot. Bonds

About 3,8-dibromonaphthalen-1-ol

3,8-dibromonaphthalen-1-ol (PubChem CID 142668001) has the molecular formula C10H6Br2O and a molecular weight of 301.97 g/mol. Its IUPAC name is 3,8-dibromonaphthalen-1-ol.

Molecular Properties

Compound Name3,8-dibromonaphthalen-1-ol
PubChem CID142668001
Molecular FormulaC10H6Br2O
Molecular Weight301.97 g/mol
Exact Mass299.88
IUPAC Name3,8-dibromonaphthalen-1-ol
SMILESOc1cc(Br)cc2cccc(Br)c12
InChIInChI=1S/C10H6Br2O/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-5,13H
InChIKeyKOYDYHLWGPBWHN-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.97
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,8-dibromonaphthalen-1-ol?
The IUPAC name of 3,8-dibromonaphthalen-1-ol (CID 142668001) is 3,8-dibromonaphthalen-1-ol.
What is the SMILES notation for 3,8-dibromonaphthalen-1-ol?
The canonical SMILES for 3,8-dibromonaphthalen-1-ol is Oc1cc(Br)cc2cccc(Br)c12.
What is the InChIKey of 3,8-dibromonaphthalen-1-ol?
The InChIKey is KOYDYHLWGPBWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2O/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-5,13H.
What are the key properties of 3,8-dibromonaphthalen-1-ol?
3,8-dibromonaphthalen-1-ol has a molecular weight of 301.97 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibromonaphthalen-1-ol is sourced from PubChem (CID 142668001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).