2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol

C15H15BrO2 — CID 60797863

IUPAC2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C15H15BrO2/c1-18-14-7-3-5-12(10-14)15(17)9-11-4-2-6-13(16)8-11/h2-8,10,15,17H,9H2,1H3
InChIKeyAKXDQQXHVPQKBQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol

2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol (PubChem CID 60797863) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
PubChem CID60797863
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C15H15BrO2/c1-18-14-7-3-5-12(10-14)15(17)9-11-4-2-6-13(16)8-11/h2-8,10,15,17H,9H2,1H3
InChIKeyAKXDQQXHVPQKBQ-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
2-[(3-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793228
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
CID 65297136
1-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018644
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018074
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 104661137
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol (CID 60797863) is 2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol?
The InChIKey is AKXDQQXHVPQKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-18-14-7-3-5-12(10-14)15(17)9-11-4-2-6-13(16)8-11/h2-8,10,15,17H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol?
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol has a molecular weight of 307.19 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 60797863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).