4-(3-bromopropyl)-2,6-dimethoxyphenol

C11H15BrO3 — CID 53434534

IUPAC4-(3-bromopropyl)-2,6-dimethoxyphenol
SMILESCOc1cc(CCCBr)cc(OC)c1O
InChIInChI=1S/C11H15BrO3/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,13H,3-5H2,1-2H3
InChIKeyAJXYETGOVWUXGN-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.74
Rot. Bonds5

About 4-(3-bromopropyl)-2,6-dimethoxyphenol

4-(3-bromopropyl)-2,6-dimethoxyphenol (PubChem CID 53434534) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 4-(3-bromopropyl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(3-bromopropyl)-2,6-dimethoxyphenol
PubChem CID53434534
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name4-(3-bromopropyl)-2,6-dimethoxyphenol
SMILESCOc1cc(CCCBr)cc(OC)c1O
InChIInChI=1S/C11H15BrO3/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,13H,3-5H2,1-2H3
InChIKeyAJXYETGOVWUXGN-UHFFFAOYSA-N
XLogP2.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-pentylphenol
CID 22625510
5-(10-bromodecyl)-1,2,3-trimethoxybenzene
CID 156501832
4-(3-bromopropyl)-2-methoxy-1-methylbenzene
CID 18626504
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
2-amino-4-(3-chloropropyl)-6-methoxyphenol
CID 94776729
4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol
CID 170865187
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
3-methoxy-5-[2-(3,4,5-trifluorophenyl)ethyl]benzene-1,2-diol
CID 67960854
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 45259533
4-(1-bromoethyl)-2,6-dimethoxyphenol
CID 134832276

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(3-bromopropyl)-2,6-dimethoxyphenol (CID 53434534) is 4-(3-bromopropyl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(3-bromopropyl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(3-bromopropyl)-2,6-dimethoxyphenol is COc1cc(CCCBr)cc(OC)c1O.
What is the InChIKey of 4-(3-bromopropyl)-2,6-dimethoxyphenol?
The InChIKey is AJXYETGOVWUXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 4-(3-bromopropyl)-2,6-dimethoxyphenol?
4-(3-bromopropyl)-2,6-dimethoxyphenol has a molecular weight of 275.14 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)-2,6-dimethoxyphenol is sourced from PubChem (CID 53434534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).