2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol

C18H21BrO — CID 114977195

IUPAC2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccccc1C(O)Cc1ccccc1Br
InChIInChI=1S/C18H21BrO/c1-18(2,3)15-10-6-5-9-14(15)17(20)12-13-8-4-7-11-16(13)19/h4-11,17,20H,12H2,1-3H3
InChIKeyMNECNSRLUWAJJF-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.02
Rot. Bonds3

About 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol

2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol (PubChem CID 114977195) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol
PubChem CID114977195
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccccc1C(O)Cc1ccccc1Br
InChIInChI=1S/C18H21BrO/c1-18(2,3)15-10-6-5-9-14(15)17(20)12-13-8-4-7-11-16(13)19/h4-11,17,20H,12H2,1-3H3
InChIKeyMNECNSRLUWAJJF-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-tert-butylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831158
2-amino-1-(2-tert-butylphenyl)ethanol
CID 18627964
1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
CID 115785100
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
1-(2-tert-butylphenyl)-5-methylhexan-1-ol
CID 115829952
1-(2-tert-butylphenyl)-2-cyclopropylethanol
CID 115804027
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790626
1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103043527
2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol
CID 65313400
2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
CID 60798582
2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330322

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol (CID 114977195) is 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol is CC(C)(C)c1ccccc1C(O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol?
The InChIKey is MNECNSRLUWAJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-18(2,3)15-10-6-5-9-14(15)17(20)12-13-8-4-7-11-16(13)19/h4-11,17,20H,12H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol?
2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol has a molecular weight of 333.27 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol is sourced from PubChem (CID 114977195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).