1-(3-bromo-4-methylphenyl)butan-1-ol

C11H15BrO — CID 112694547

IUPAC1-(3-bromo-4-methylphenyl)butan-1-ol
SMILESCCCC(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C11H15BrO/c1-3-4-11(13)9-6-5-8(2)10(12)7-9/h5-7,11,13H,3-4H2,1-2H3
InChIKeyGYYUSNPICVFGBX-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.59
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)butan-1-ol

1-(3-bromo-4-methylphenyl)butan-1-ol (PubChem CID 112694547) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)butan-1-ol
PubChem CID112694547
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name1-(3-bromo-4-methylphenyl)butan-1-ol
SMILESCCCC(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C11H15BrO/c1-3-4-11(13)9-6-5-8(2)10(12)7-9/h5-7,11,13H,3-4H2,1-2H3
InChIKeyGYYUSNPICVFGBX-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115783206
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CID 115834621
2-amino-1-(3-bromo-4-methylphenyl)ethanol
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5-(1-hydroxybutyl)-2-methylphenol
CID 88978694
1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol
CID 115810923
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
1-(3-bromo-4-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780268
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
(1S)-1-(3-bromo-4-methylphenyl)-2-(chloroamino)ethanol
CID 58666985
1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115786511

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)butan-1-ol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)butan-1-ol (CID 112694547) is 1-(3-bromo-4-methylphenyl)butan-1-ol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)butan-1-ol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)butan-1-ol is CCCC(O)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)butan-1-ol?
The InChIKey is GYYUSNPICVFGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-3-4-11(13)9-6-5-8(2)10(12)7-9/h5-7,11,13H,3-4H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)butan-1-ol?
1-(3-bromo-4-methylphenyl)butan-1-ol has a molecular weight of 243.14 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)butan-1-ol is sourced from PubChem (CID 112694547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).