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

C11H15BrO2 — CID 64516496

IUPAC4-(3-bromo-4-methoxyphenyl)butan-1-ol
SMILESCOc1ccc(CCCCO)cc1Br
InChIInChI=1S/C11H15BrO2/c1-14-11-6-5-9(8-10(11)12)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3
InChIKeySFZVGXXNTXQIBM-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.77
Rot. Bonds5

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

4-(3-bromo-4-methoxyphenyl)butan-1-ol (PubChem CID 64516496) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)butan-1-ol
PubChem CID64516496
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-(3-bromo-4-methoxyphenyl)butan-1-ol
SMILESCOc1ccc(CCCCO)cc1Br
InChIInChI=1S/C11H15BrO2/c1-14-11-6-5-9(8-10(11)12)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3
InChIKeySFZVGXXNTXQIBM-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-bromo-4-methoxyphenyl)hexanoic acid
CID 43446926
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5-[(3-bromo-4-methoxyphenyl)methylamino]pentan-1-ol
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2-[2-(3-bromo-4-methoxyphenyl)ethyl]guanidine
CID 59851874
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60740275
2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133534
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
CID 117400911
5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine
CID 64504008
1-(3-bromo-4-methoxyphenyl)heptane-3,4-diol
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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)butan-1-ol?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)butan-1-ol (CID 64516496) is 4-(3-bromo-4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)butan-1-ol?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)butan-1-ol is COc1ccc(CCCCO)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)butan-1-ol?
The InChIKey is SFZVGXXNTXQIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-14-11-6-5-9(8-10(11)12)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3.
What are the key properties of 4-(3-bromo-4-methoxyphenyl)butan-1-ol?
4-(3-bromo-4-methoxyphenyl)butan-1-ol has a molecular weight of 259.14 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 64516496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).