2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

C17H16BrFO2 — CID 115511058

IUPAC2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(c1cc(Br)ccc1F)CC2
InChIInChI=1S/C17H16BrFO2/c1-21-14-4-2-11-6-7-17(20,10-12(11)8-14)15-9-13(18)3-5-16(15)19/h2-5,8-9,20H,6-7,10H2,1H3
InChIKeyZQYFNQRLMBMSNM-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.97
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115511058) has the molecular formula C17H16BrFO2 and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115511058
Molecular FormulaC17H16BrFO2
Molecular Weight351.22 g/mol
Exact Mass350.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(c1cc(Br)ccc1F)CC2
InChIInChI=1S/C17H16BrFO2/c1-21-14-4-2-11-6-7-17(20,10-12(11)8-14)15-9-13(18)3-5-16(15)19/h2-5,8-9,20H,6-7,10H2,1H3
InChIKeyZQYFNQRLMBMSNM-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510926
1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
CID 171367787
2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 106461357
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
4-(5-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol
CID 79742352
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
1-[(4-bromo-2-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371802
7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510965
3-(5-bromo-2-fluorophenyl)azetidin-3-ol
CID 79742267
3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol
CID 79743161
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
3-(5-bromo-2-fluorophenyl)pyrrolidin-3-ol
CID 79743506

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (CID 115511058) is 2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CC(O)(c1cc(Br)ccc1F)CC2.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is ZQYFNQRLMBMSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO2/c1-21-14-4-2-11-6-7-17(20,10-12(11)8-14)15-9-13(18)3-5-16(15)19/h2-5,8-9,20H,6-7,10H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 351.22 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115511058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).