2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol

C12H17BrO — CID 116863280

IUPAC2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(O)C(C)Br)cc1
InChIInChI=1S/C12H17BrO/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h4-9,12,14H,1-3H3
InChIKeyBQFXCHBNPBYOQO-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.63
Rot. Bonds3

About 2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol

2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol (PubChem CID 116863280) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol
PubChem CID116863280
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(O)C(C)Br)cc1
InChIInChI=1S/C12H17BrO/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h4-9,12,14H,1-3H3
InChIKeyBQFXCHBNPBYOQO-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 61082952
2-methyl-1-(4-propan-2-ylphenyl)propane-1,3-diol
CID 91250874
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol
CID 103310574
3-(4-propan-2-ylphenyl)butan-2-ol
CID 66438061
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119
2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 66205949
2-amino-4-methyl-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 62763785
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
1-(1,3-benzodioxol-5-yl)-2-bromopropan-1-ol
CID 12779709
4-hydroxy-3-methyl-4-(4-propan-2-ylphenyl)butanenitrile
CID 82113940

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol (CID 116863280) is 2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc(C(O)C(C)Br)cc1.
What is the InChIKey of 2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is BQFXCHBNPBYOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h4-9,12,14H,1-3H3.
What are the key properties of 2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol?
2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 257.17 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 116863280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).