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

C16H17BrO2 — CID 106790626

IUPAC2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C)ccc1C(O)Cc1ccccc1Br
InChIInChI=1S/C16H17BrO2/c1-11-7-8-13(16(9-11)19-2)15(18)10-12-5-3-4-6-14(12)17/h3-9,15,18H,10H2,1-2H3
InChIKeyOVUJEYZDICQAPT-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.04
Rot. Bonds4

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

2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol (PubChem CID 106790626) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
PubChem CID106790626
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C)ccc1C(O)Cc1ccccc1Br
InChIInChI=1S/C16H17BrO2/c1-11-7-8-13(16(9-11)19-2)15(18)10-12-5-3-4-6-14(12)17/h3-9,15,18H,10H2,1-2H3
InChIKeyOVUJEYZDICQAPT-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-(2,3-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 107308318
2-(2,6-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106791042
2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol
CID 65313400
2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 114977277
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 65434708
2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790756
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol
CID 65026534
3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974607
2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790809
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol (CID 106790626) is 2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol is COc1cc(C)ccc1C(O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol?
The InChIKey is OVUJEYZDICQAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-7-8-13(16(9-11)19-2)15(18)10-12-5-3-4-6-14(12)17/h3-9,15,18H,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol?
2-(2-bromophenyl)-1-(2-methoxy-4-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-(2-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 106790626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).