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

C16H17BrO2 — CID 60798972

IUPAC2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrO2/c1-2-19-15-8-4-6-13(11-15)16(18)10-12-5-3-7-14(17)9-12/h3-9,11,16,18H,2,10H2,1H3
InChIKeyPSUXUXSJARJHDI-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.12
Rot. Bonds5

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

2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol (PubChem CID 60798972) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
PubChem CID60798972
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrO2/c1-2-19-15-8-4-6-13(11-15)16(18)10-12-5-3-7-14(17)9-12/h3-9,11,16,18H,2,10H2,1H3
InChIKeyPSUXUXSJARJHDI-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
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(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
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1-bromo-3-ethoxybenzene;ethane
CID 143900364
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
[2-(3-bromophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105202710
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606842
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol (CID 60798972) is 2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol is CCOc1cccc(C(O)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol?
The InChIKey is PSUXUXSJARJHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-2-19-15-8-4-6-13(11-15)16(18)10-12-5-3-7-14(17)9-12/h3-9,11,16,18H,2,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol?
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol has a molecular weight of 321.21 g/mol, XLogP of 4.12, 5 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-ethoxyphenyl)ethanol is sourced from PubChem (CID 60798972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).