1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol

C17H19BrO — CID 55187138

IUPAC1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(C)(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrO/c1-12(2)13-7-9-14(10-8-13)17(3,19)15-5-4-6-16(18)11-15/h4-12,19H,1-3H3
InChIKeyWBUWAAYBVCUCSK-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.83
Rot. Bonds3

About 1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol

1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 55187138) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID55187138
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(C)(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrO/c1-12(2)13-7-9-14(10-8-13)17(3,19)15-5-4-6-16(18)11-15/h4-12,19H,1-3H3
InChIKeyWBUWAAYBVCUCSK-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 56993717
2-(3-bromophenyl)propan-2-ol;ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol (CID 55187138) is 1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(C)(O)c2cccc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is WBUWAAYBVCUCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-12(2)13-7-9-14(10-8-13)17(3,19)15-5-4-6-16(18)11-15/h4-12,19H,1-3H3.
What are the key properties of 1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol?
1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 319.24 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 55187138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).