2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol

C12H15BrO3 — CID 162516156

IUPAC2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol
SMILESCC=Cc1cc(OC)c(O)c(OCCBr)c1
InChIInChI=1S/C12H15BrO3/c1-3-4-9-7-10(15-2)12(14)11(8-9)16-6-5-13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyZHKVHVGKPMBGSB-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol

2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol (PubChem CID 162516156) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol.

Molecular Properties

Compound Name2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol
PubChem CID162516156
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol
SMILESCC=Cc1cc(OC)c(O)c(OCCBr)c1
InChIInChI=1S/C12H15BrO3/c1-3-4-9-7-10(15-2)12(14)11(8-9)16-6-5-13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyZHKVHVGKPMBGSB-UHFFFAOYSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.21
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-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol
CID 162462066
2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid
CID 84819506
5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 56935715
4-[(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)propyl]-2,6-dimethoxyphenol
CID 162900786
2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 101382375
(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
CID 162960084
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
(Z)-3-[4-(2-bromoethoxy)-3-methoxyphenyl]prop-2-enamide
CID 170877086
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 57041223

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol?
The IUPAC name of 2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol (CID 162516156) is 2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol.
What is the SMILES notation for 2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol?
The canonical SMILES for 2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol is CC=Cc1cc(OC)c(O)c(OCCBr)c1.
What is the InChIKey of 2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol?
The InChIKey is ZHKVHVGKPMBGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-3-4-9-7-10(15-2)12(14)11(8-9)16-6-5-13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol?
2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol has a molecular weight of 287.15 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol is sourced from PubChem (CID 162516156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).