4-(3-bromo-4-methylphenyl)butan-2-ol

C11H15BrO — CID 131143359

IUPAC4-(3-bromo-4-methylphenyl)butan-2-ol
SMILESCc1ccc(CCC(C)O)cc1Br
InChIInChI=1S/C11H15BrO/c1-8-3-5-10(7-11(8)12)6-4-9(2)13/h3,5,7,9,13H,4,6H2,1-2H3
InChIKeyFBHYUEKBOBGERT-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.07
Rot. Bonds3

About 4-(3-bromo-4-methylphenyl)butan-2-ol

4-(3-bromo-4-methylphenyl)butan-2-ol (PubChem CID 131143359) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 4-(3-bromo-4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(3-bromo-4-methylphenyl)butan-2-ol
PubChem CID131143359
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name4-(3-bromo-4-methylphenyl)butan-2-ol
SMILESCc1ccc(CCC(C)O)cc1Br
InChIInChI=1S/C11H15BrO/c1-8-3-5-10(7-11(8)12)6-4-9(2)13/h3,5,7,9,13H,4,6H2,1-2H3
InChIKeyFBHYUEKBOBGERT-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
2-bromo-4-(3-chloropropyl)-1-methylbenzene
CID 53416639
1-(3-bromo-4-methylphenyl)heptan-4-amine
CID 83924298
1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
CID 83936347
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
CID 130608339
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
1-(3-bromo-4-methylphenoxy)propan-2-ol
CID 130815670
5-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113344574
2-(3-bromo-4-methylphenyl)acetaldehyde
CID 54038789
2-methyl-4-(3-methylbutyl)benzenesulfonic acid
CID 123716820

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylphenyl)butan-2-ol?
The IUPAC name of 4-(3-bromo-4-methylphenyl)butan-2-ol (CID 131143359) is 4-(3-bromo-4-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-(3-bromo-4-methylphenyl)butan-2-ol?
The canonical SMILES for 4-(3-bromo-4-methylphenyl)butan-2-ol is Cc1ccc(CCC(C)O)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methylphenyl)butan-2-ol?
The InChIKey is FBHYUEKBOBGERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-8-3-5-10(7-11(8)12)6-4-9(2)13/h3,5,7,9,13H,4,6H2,1-2H3.
What are the key properties of 4-(3-bromo-4-methylphenyl)butan-2-ol?
4-(3-bromo-4-methylphenyl)butan-2-ol has a molecular weight of 243.14 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylphenyl)butan-2-ol is sourced from PubChem (CID 131143359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).