1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol

C18H21BrO — CID 115788232

IUPAC1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCc1cc(Br)ccc1C(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21BrO/c1-12(2)15-6-4-14(5-7-15)11-18(20)17-9-8-16(19)10-13(17)3/h4-10,12,18,20H,11H2,1-3H3
InChIKeyRBSVLDMBKGVHDJ-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.16
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol

1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 115788232) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID115788232
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCc1cc(Br)ccc1C(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21BrO/c1-12(2)15-6-4-14(5-7-15)11-18(20)17-9-8-16(19)10-13(17)3/h4-10,12,18,20H,11H2,1-3H3
InChIKeyRBSVLDMBKGVHDJ-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980728
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol
CID 63016718
1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788296
2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 63519474
[1-(2,4-dibromophenyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 107948137
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801912
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822213
1-(4-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789238
2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081846
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol (CID 115788232) is 1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol is Cc1cc(Br)ccc1C(O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is RBSVLDMBKGVHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-12(2)15-6-4-14(5-7-15)11-18(20)17-9-8-16(19)10-13(17)3/h4-10,12,18,20H,11H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol?
1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 333.27 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 115788232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).