1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol

C18H21BrO2 — CID 104661074

IUPAC1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2cc(C)ccc2C)cc1Br
InChIInChI=1S/C18H21BrO2/c1-4-21-18-8-7-14(10-16(18)19)17(20)11-15-9-12(2)5-6-13(15)3/h5-10,17,20H,4,11H2,1-3H3
InChIKeyDXVKZDQFWXXLNM-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.74
Rot. Bonds5

About 1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol

1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol (PubChem CID 104661074) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
PubChem CID104661074
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2cc(C)ccc2C)cc1Br
InChIInChI=1S/C18H21BrO2/c1-4-21-18-8-7-14(10-16(18)19)17(20)11-15-9-12(2)5-6-13(15)3/h5-10,17,20H,4,11H2,1-3H3
InChIKeyDXVKZDQFWXXLNM-UHFFFAOYSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 63018668
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-ethoxybenzene
CID 104661680
1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 104661035
(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302503
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 104661137
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 61482044
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 104657305

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol (CID 104661074) is 1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol is CCOc1ccc(C(O)Cc2cc(C)ccc2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol?
The InChIKey is DXVKZDQFWXXLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-4-21-18-8-7-14(10-16(18)19)17(20)11-15-9-12(2)5-6-13(15)3/h5-10,17,20H,4,11H2,1-3H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol?
1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol has a molecular weight of 349.27 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 104661074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).