(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol

C11H15BrO2 — CID 93189097

IUPAC(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
SMILESCCC[C@@H](O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C11H15BrO2/c1-3-4-10(13)8-5-6-11(14-2)9(12)7-8/h5-7,10,13H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyWIIKKCUQTOIVTC-SNVBAGLBSA-N
MW259.14 g/mol
LogP3.29
Rot. Bonds4

About (1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol

(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol (PubChem CID 93189097) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
PubChem CID93189097
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
SMILESCCC[C@@H](O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C11H15BrO2/c1-3-4-10(13)8-5-6-11(14-2)9(12)7-8/h5-7,10,13H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyWIIKKCUQTOIVTC-SNVBAGLBSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-3-sulfanylpropan-1-ol
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CID 11390954
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
1-(3-bromo-4-methoxyphenyl)-5,5,5-trifluoropentan-1-ol
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2-[(3-bromo-4-methoxyphenyl)-hydroxymethyl]pentanenitrile
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CID 104661010
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
1-(3-butoxy-4-methoxyphenyl)butan-1-ol
CID 83951524
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine
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2-bromo-4-(1-bromodecyl)-1-methoxybenzene
CID 65426016

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol?
The IUPAC name of (1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol (CID 93189097) is (1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for (1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol?
The canonical SMILES for (1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol is CCC[C@@H](O)c1ccc(OC)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol?
The InChIKey is WIIKKCUQTOIVTC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-3-4-10(13)8-5-6-11(14-2)9(12)7-8/h5-7,10,13H,3-4H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol?
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol has a molecular weight of 259.14 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 93189097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).