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

C15H15BrO2 — CID 46739413

IUPAC6-bromo-1-(oxan-2-yl)naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1C1CCCCO1
InChIInChI=1S/C15H15BrO2/c16-11-5-6-12-10(9-11)4-7-13(17)15(12)14-3-1-2-8-18-14/h4-7,9,14,17H,1-3,8H2
InChIKeyBLAOATBDNGAXIK-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.55
Rot. Bonds1

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

6-bromo-1-(oxan-2-yl)naphthalen-2-ol (PubChem CID 46739413) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-1-(oxan-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-(oxan-2-yl)naphthalen-2-ol
PubChem CID46739413
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name6-bromo-1-(oxan-2-yl)naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1C1CCCCO1
InChIInChI=1S/C15H15BrO2/c16-11-5-6-12-10(9-11)4-7-13(17)15(12)14-3-1-2-8-18-14/h4-7,9,14,17H,1-3,8H2
InChIKeyBLAOATBDNGAXIK-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(oxan-2-yl)naphthalen-2-ol?
The IUPAC name of 6-bromo-1-(oxan-2-yl)naphthalen-2-ol (CID 46739413) is 6-bromo-1-(oxan-2-yl)naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-(oxan-2-yl)naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-(oxan-2-yl)naphthalen-2-ol is Oc1ccc2cc(Br)ccc2c1C1CCCCO1.
What is the InChIKey of 6-bromo-1-(oxan-2-yl)naphthalen-2-ol?
The InChIKey is BLAOATBDNGAXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-11-5-6-12-10(9-11)4-7-13(17)15(12)14-3-1-2-8-18-14/h4-7,9,14,17H,1-3,8H2.
What are the key properties of 6-bromo-1-(oxan-2-yl)naphthalen-2-ol?
6-bromo-1-(oxan-2-yl)naphthalen-2-ol has a molecular weight of 307.19 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(oxan-2-yl)naphthalen-2-ol is sourced from PubChem (CID 46739413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).