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

C17H15BrF2O — CID 63633059

IUPAC6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2ccc(F)cc2F)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H15BrF2O/c18-14-3-1-12-9-17(21,6-5-11(12)7-14)10-13-2-4-15(19)8-16(13)20/h1-4,7-8,21H,5-6,9-10H2
InChIKeyLSCZBNLYQDYRQW-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.19
Rot. Bonds2

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

6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 63633059) has the molecular formula C17H15BrF2O and a molecular weight of 353.21 g/mol. Its IUPAC name is 6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID63633059
Molecular FormulaC17H15BrF2O
Molecular Weight353.21 g/mol
Exact Mass352.03
IUPAC Name6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2ccc(F)cc2F)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H15BrF2O/c18-14-3-1-12-9-17(21,6-5-11(12)7-14)10-13-2-4-15(19)8-16(13)20/h1-4,7-8,21H,5-6,9-10H2
InChIKeyLSCZBNLYQDYRQW-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63630973
2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65146307
6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63632383
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 114851797
6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 104801675
6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 55248078
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 65149503
1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65145586
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 79567932

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 63633059) is 6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is OC1(Cc2ccc(F)cc2F)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is LSCZBNLYQDYRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2O/c18-14-3-1-12-9-17(21,6-5-11(12)7-14)10-13-2-4-15(19)8-16(13)20/h1-4,7-8,21H,5-6,9-10H2.
What are the key properties of 6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 353.21 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 63633059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).