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

C17H19BrO — CID 81117922

IUPAC1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(Br)c(C(O)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19BrO/c1-11-4-7-16(18)15(8-11)17(19)10-14-6-5-12(2)13(3)9-14/h4-9,17,19H,10H2,1-3H3
InChIKeyNGYSBLKLJUOQBD-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.65
Rot. Bonds3

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

1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 81117922) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol
PubChem CID81117922
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(Br)c(C(O)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19BrO/c1-11-4-7-16(18)15(8-11)17(19)10-14-6-5-12(2)13(3)9-14/h4-9,17,19H,10H2,1-3H3
InChIKeyNGYSBLKLJUOQBD-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018417
[1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105290064
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
CID 83988258
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
CID 81116743
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63428538
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
1-(7-bromo-1-benzothiophen-3-yl)-2-(3,4-dimethylphenyl)ethanol
CID 81129023
1-(2-bromo-5-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312495
1-(2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 62537327

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol (CID 81117922) is 1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol is Cc1ccc(Br)c(C(O)Cc2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is NGYSBLKLJUOQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-11-4-7-16(18)15(8-11)17(19)10-14-6-5-12(2)13(3)9-14/h4-9,17,19H,10H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol?
1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol has a molecular weight of 319.24 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 81117922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).