2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol

C11H15BrO4 — CID 139466159

IUPAC2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol
SMILESCOCCCOc1cc(O)c(Br)cc1OC
InChIInChI=1S/C11H15BrO4/c1-14-4-3-5-16-11-7-9(13)8(12)6-10(11)15-2/h6-7,13H,3-5H2,1-2H3
InChIKeyVNHLCDGSTDLABA-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.58
Rot. Bonds6

About 2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol

2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol (PubChem CID 139466159) has the molecular formula C11H15BrO4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol.

Molecular Properties

Compound Name2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol
PubChem CID139466159
Molecular FormulaC11H15BrO4
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol
SMILESCOCCCOc1cc(O)c(Br)cc1OC
InChIInChI=1S/C11H15BrO4/c1-14-4-3-5-16-11-7-9(13)8(12)6-10(11)15-2/h6-7,13H,3-5H2,1-2H3
InChIKeyVNHLCDGSTDLABA-UHFFFAOYSA-N
XLogP2.58
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-chloro-4-methoxyphenol
CID 84700319
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
2-(3-methoxypropoxy)-4-methylphenol
CID 59224290
[4-methoxy-3-(3-methoxypropoxy)benzoyl]chloranium
CID 147794030
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
CID 86730352
4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde
CID 59223904
5-(4-bromo-2,5-dimethoxyphenoxy)-2,2-dimethylpentanoic acid
CID 146405826
1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
CID 135296706
7-methoxy-6-(3-methoxypropoxy)quinazoline
CID 175806102
1-bromo-5-(chloromethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 54935509
4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol?
The IUPAC name of 2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol (CID 139466159) is 2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol.
What is the SMILES notation for 2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol?
The canonical SMILES for 2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol is COCCCOc1cc(O)c(Br)cc1OC.
What is the InChIKey of 2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol?
The InChIKey is VNHLCDGSTDLABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO4/c1-14-4-3-5-16-11-7-9(13)8(12)6-10(11)15-2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol?
2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol has a molecular weight of 291.14 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol is sourced from PubChem (CID 139466159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).