1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol

C18H21BrO — CID 115781909

IUPAC1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(Br)cc(C(O)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21BrO/c1-11-5-13(3)17(14(4)6-11)10-18(20)15-7-12(2)8-16(19)9-15/h5-9,18,20H,10H2,1-4H3
InChIKeyVPQWRNTYDUYROX-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.96
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol

1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 115781909) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID115781909
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(Br)cc(C(O)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21BrO/c1-11-5-13(3)17(14(4)6-11)10-18(20)15-7-12(2)8-16(19)9-15/h5-9,18,20H,10H2,1-4H3
InChIKeyVPQWRNTYDUYROX-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 107978212
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781994
1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084146
1-(3-bromo-5-methylphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803665
1-(3-bromo-5-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831119
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
1-(3-bromo-5-methylphenyl)oct-7-en-1-ol
CID 107012214
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
3-amino-1-(3-bromo-5-methylphenyl)propane-1,2-diol
CID 170829300

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol (CID 115781909) is 1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(Br)cc(C(O)Cc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is VPQWRNTYDUYROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-11-5-13(3)17(14(4)6-11)10-18(20)15-7-12(2)8-16(19)9-15/h5-9,18,20H,10H2,1-4H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 333.27 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 115781909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).