(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol

C16H16BrFO2 — CID 71568461

IUPAC(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@@H](O)[C@@H](C)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H16BrFO2/c1-10(14-9-12(17)5-8-15(14)18)16(19)11-3-6-13(20-2)7-4-11/h3-10,16,19H,1-2H3/t10-,16-/m0/s1
InChIKeyBCWZACJGMDLFIX-QFYYESIMSA-N
MW339.20 g/mol
LogP4.43
Rot. Bonds4

About (1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol

(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 71568461) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is (1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
PubChem CID71568461
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@@H](O)[C@@H](C)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H16BrFO2/c1-10(14-9-12(17)5-8-15(14)18)16(19)11-3-6-13(20-2)7-4-11/h3-10,16,19H,1-2H3/t10-,16-/m0/s1
InChIKeyBCWZACJGMDLFIX-QFYYESIMSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82964495
1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
CID 79743530
N-[(5-bromo-2-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43494987
1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624906
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 82972730
(5-bromo-2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 79721941
4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43192619
1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114894603
1-(4-bromo-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643161
methyl 2-[(5-bromo-2-fluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 55071559
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of (1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol (CID 71568461) is (1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for (1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol is COc1ccc([C@@H](O)[C@@H](C)c2cc(Br)ccc2F)cc1.
What is the InChIKey of (1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is BCWZACJGMDLFIX-QFYYESIMSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-10(14-9-12(17)5-8-15(14)18)16(19)11-3-6-13(20-2)7-4-11/h3-10,16,19H,1-2H3/t10-,16-/m0/s1.
What are the key properties of (1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 339.20 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 71568461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).