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

C16H17BrO2 — CID 65313400

IUPAC2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccccc2Br)c(C)c1
InChIInChI=1S/C16H17BrO2/c1-11-9-13(19-2)7-8-14(11)16(18)10-12-5-3-4-6-15(12)17/h3-9,16,18H,10H2,1-2H3
InChIKeyWGXOIJULKXXWNI-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.04
Rot. Bonds4

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

2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol (PubChem CID 65313400) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol
PubChem CID65313400
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccccc2Br)c(C)c1
InChIInChI=1S/C16H17BrO2/c1-11-9-13(19-2)7-8-14(11)16(18)10-12-5-3-4-6-15(12)17/h3-9,16,18H,10H2,1-2H3
InChIKeyWGXOIJULKXXWNI-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

2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790626
2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 114977277
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 61100911
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084143
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 62790475
2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 65327757
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol (CID 65313400) is 2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol is COc1ccc(C(O)Cc2ccccc2Br)c(C)c1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol?
The InChIKey is WGXOIJULKXXWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-9-13(19-2)7-8-14(11)16(18)10-12-5-3-4-6-15(12)17/h3-9,16,18H,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol?
2-(2-bromophenyl)-1-(4-methoxy-2-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-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol is sourced from PubChem (CID 65313400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).