6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol

C16H14BrFO — CID 55248078

IUPAC6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(c2cccc(F)c2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H14BrFO/c17-14-5-4-12-10-16(19,7-6-11(12)8-14)13-2-1-3-15(18)9-13/h1-5,8-9,19H,6-7,10H2
InChIKeyWLXLTZLJUVSEGW-UHFFFAOYSA-N
MW321.19 g/mol
LogP3.96
Rot. Bonds1

About 6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol

6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 55248078) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is 6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID55248078
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(c2cccc(F)c2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H14BrFO/c17-14-5-4-12-10-16(19,7-6-11(12)8-14)13-2-1-3-15(18)9-13/h1-5,8-9,19H,6-7,10H2
InChIKeyWLXLTZLJUVSEGW-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 55248078) is 6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol is OC1(c2cccc(F)c2)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is WLXLTZLJUVSEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c17-14-5-4-12-10-16(19,7-6-11(12)8-14)13-2-1-3-15(18)9-13/h1-5,8-9,19H,6-7,10H2.
What are the key properties of 6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 321.19 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 55248078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).