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

C16H17BrO2 — CID 114977277

IUPAC2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C(O)Cc2ccccc2Br)ccc1C
InChIInChI=1S/C16H17BrO2/c1-11-7-8-13(10-16(11)19-2)15(18)9-12-5-3-4-6-14(12)17/h3-8,10,15,18H,9H2,1-2H3
InChIKeyKQMZTEHOEMRNRQ-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.04
Rot. Bonds4

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

2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol (PubChem CID 114977277) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
PubChem CID114977277
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C(O)Cc2ccccc2Br)ccc1C
InChIInChI=1S/C16H17BrO2/c1-11-7-8-13(10-16(11)19-2)15(18)9-12-5-3-4-6-14(12)17/h3-8,10,15,18H,9H2,1-2H3
InChIKeyKQMZTEHOEMRNRQ-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-(3-chloro-4-methoxyphenyl)ethanol
CID 65026534
2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115787144
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 63018668
2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol
CID 65313400
2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 102867481
2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 65327757
2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790626
1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 55162570
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
(1S)-2-[(2-bromophenyl)methylamino]-1-(3,4-dimethoxyphenyl)ethanol
CID 129390967

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol (CID 114977277) is 2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol is COc1cc(C(O)Cc2ccccc2Br)ccc1C.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol?
The InChIKey is KQMZTEHOEMRNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-7-8-13(10-16(11)19-2)15(18)9-12-5-3-4-6-14(12)17/h3-8,10,15,18H,9H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol?
2-(2-bromophenyl)-1-(3-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-(3-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 114977277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).