6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

C17H16BrFO2 — CID 79698408

IUPAC6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2cc(OCc3cc(F)cc(Br)c3)ccc21
InChIInChI=1S/C17H16BrFO2/c18-13-6-11(7-14(19)9-13)10-21-15-4-5-16-12(8-15)2-1-3-17(16)20/h4-9,17,20H,1-3,10H2
InChIKeyKSBOITHQSSOJNQ-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.54
Rot. Bonds3

About 6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 79698408) has the molecular formula C17H16BrFO2 and a molecular weight of 351.22 g/mol. Its IUPAC name is 6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID79698408
Molecular FormulaC17H16BrFO2
Molecular Weight351.22 g/mol
Exact Mass350.03
IUPAC Name6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2cc(OCc3cc(F)cc(Br)c3)ccc21
InChIInChI=1S/C17H16BrFO2/c18-13-6-11(7-14(19)9-13)10-21-15-4-5-16-12(8-15)2-1-3-17(16)20/h4-9,17,20H,1-3,10H2
InChIKeyKSBOITHQSSOJNQ-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684507
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114280270
6-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410362
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684733
5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684678
6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114494445
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114494443
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
CID 107684568

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 79698408) is 6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2cc(OCc3cc(F)cc(Br)c3)ccc21.
What is the InChIKey of 6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is KSBOITHQSSOJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO2/c18-13-6-11(7-14(19)9-13)10-21-15-4-5-16-12(8-15)2-1-3-17(16)20/h4-9,17,20H,1-3,10H2.
What are the key properties of 6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 351.22 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 79698408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).