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

C16H13BrF2O — CID 22709066

IUPAC6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(c2ccc(F)c(F)c2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H13BrF2O/c17-13-3-1-11-9-16(20,6-5-10(11)7-13)12-2-4-14(18)15(19)8-12/h1-4,7-8,20H,5-6,9H2
InChIKeyYRVVAQLPVLSQDX-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.10
Rot. Bonds1

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

6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 22709066) has the molecular formula C16H13BrF2O and a molecular weight of 339.18 g/mol. Its IUPAC name is 6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID22709066
Molecular FormulaC16H13BrF2O
Molecular Weight339.18 g/mol
Exact Mass338.01
IUPAC Name6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(c2ccc(F)c(F)c2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H13BrF2O/c17-13-3-1-11-9-16(20,6-5-10(11)7-13)12-2-4-14(18)15(19)8-12/h1-4,7-8,20H,5-6,9H2
InChIKeyYRVVAQLPVLSQDX-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 22709066) is 6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol is OC1(c2ccc(F)c(F)c2)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is YRVVAQLPVLSQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2O/c17-13-3-1-11-9-16(20,6-5-10(11)7-13)12-2-4-14(18)15(19)8-12/h1-4,7-8,20H,5-6,9H2.
What are the key properties of 6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 339.18 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 22709066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).