(1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol

C16H16BrFO2 — CID 67347562

IUPAC(1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc([C@@](C)(O)c2cc(F)cc(Br)c2)cc1C
InChIInChI=1S/C16H16BrFO2/c1-10-6-11(4-5-15(10)20-3)16(2,19)12-7-13(17)9-14(18)8-12/h4-9,19H,1-3H3/t16-/m1/s1
InChIKeyMUIHKIPWJRUHFS-MRXNPFEDSA-N
MW339.20 g/mol
LogP4.16
Rot. Bonds3

About (1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol

(1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol (PubChem CID 67347562) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is (1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
PubChem CID67347562
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name(1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc([C@@](C)(O)c2cc(F)cc(Br)c2)cc1C
InChIInChI=1S/C16H16BrFO2/c1-10-6-11(4-5-15(10)20-3)16(2,19)12-7-13(17)9-14(18)8-12/h4-9,19H,1-3H3/t16-/m1/s1
InChIKeyMUIHKIPWJRUHFS-MRXNPFEDSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Magreth-11b
CID 53392954
2-(2-Bromobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10310476
3-Bromo-4'-methoxybiphenyl
CID 2757035
Magreth-11a
CID 53392953
Magreth-11c
CID 54592206
2-Bromo-6-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 60148602
4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 118720091
5-Bromo-2-methoxytriphenylmethanol
CID 3499772
3'-Bromo-2,4-dimethoxy-1,1'-biphenyl
CID 83666368
2,6-Dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol
CID 45258344
2,6-Dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol
CID 45258439
2-[3-(3-Hydroxypropyl)-4-methoxyphenyl]-4-prop-2-enylphenol
CID 60150799

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
The IUPAC name of (1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol (CID 67347562) is (1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
The canonical SMILES for (1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol is COc1ccc([C@@](C)(O)c2cc(F)cc(Br)c2)cc1C.
What is the InChIKey of (1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
The InChIKey is MUIHKIPWJRUHFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-10-6-11(4-5-15(10)20-3)16(2,19)12-7-13(17)9-14(18)8-12/h4-9,19H,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
(1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol has a molecular weight of 339.20 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol is sourced from PubChem (CID 67347562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).