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

C17H15Br2FO — CID 63630973

IUPAC6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2ccc(F)c(Br)c2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H15Br2FO/c18-14-3-2-13-10-17(21,6-5-12(13)8-14)9-11-1-4-16(20)15(19)7-11/h1-4,7-8,21H,5-6,9-10H2
InChIKeyXEPAICHNPTXNSB-UHFFFAOYSA-N
MW414.11 g/mol
LogP4.81
Rot. Bonds2

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

6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 63630973) has the molecular formula C17H15Br2FO and a molecular weight of 414.11 g/mol. Its IUPAC name is 6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID63630973
Molecular FormulaC17H15Br2FO
Molecular Weight414.11 g/mol
Exact Mass411.95
IUPAC Name6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2ccc(F)c(Br)c2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H15Br2FO/c18-14-3-2-13-10-17(21,6-5-12(13)8-14)9-11-1-4-16(20)15(19)7-11/h1-4,7-8,21H,5-6,9-10H2
InChIKeyXEPAICHNPTXNSB-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.11
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63632383
6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63633059
2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 60797695
6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 104801675
4-[(3-bromo-4-fluorophenyl)methyl]oxepan-4-ol
CID 65079646
5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 80562868
2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 66033542
[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
CID 66024777
1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823572
6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65145586
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
CID 54971162
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-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 63630973) is 6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is OC1(Cc2ccc(F)c(Br)c2)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is XEPAICHNPTXNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2FO/c18-14-3-2-13-10-17(21,6-5-12(13)8-14)9-11-1-4-16(20)15(19)7-11/h1-4,7-8,21H,5-6,9-10H2.
What are the key properties of 6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 414.11 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 63630973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).