2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol

C16H17BrO2 — CID 61081846

IUPAC2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(Br)cc2)cc1C
InChIInChI=1S/C16H17BrO2/c1-11-9-13(5-8-16(11)19-2)15(18)10-12-3-6-14(17)7-4-12/h3-9,15,18H,10H2,1-2H3
InChIKeyFZVJGWUKJJKWPP-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol

2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol (PubChem CID 61081846) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
PubChem CID61081846
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(Br)cc2)cc1C
InChIInChI=1S/C16H17BrO2/c1-11-9-13(5-8-16(11)19-2)15(18)10-12-3-6-14(17)7-4-12/h3-9,15,18H,10H2,1-2H3
InChIKeyFZVJGWUKJJKWPP-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-bromophenyl)-1-chloroethyl]-1-methoxy-2-methylbenzene
CID 63434623
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 65327757
(1R)-1-(3-bromo-5-fluorophenyl)-2-(4-methoxy-3-methylphenyl)ethanol
CID 68626598
(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
CID 96823282
2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 63519474
1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 65476638
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115779364
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol (CID 61081846) is 2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol is COc1ccc(C(O)Cc2ccc(Br)cc2)cc1C.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
The InChIKey is FZVJGWUKJJKWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-9-13(5-8-16(11)19-2)15(18)10-12-3-6-14(17)7-4-12/h3-9,15,18H,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol has a molecular weight of 321.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol is sourced from PubChem (CID 61081846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).