3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol

C12H15BrO2 — CID 171049127

IUPAC3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol
SMILESCOc1ccc(Br)c(CC=C(C)C)c1O
InChIInChI=1S/C12H15BrO2/c1-8(2)4-5-9-10(13)6-7-11(15-3)12(9)14/h4,6-7,14H,5H2,1-3H3
InChIKeyRNDWLASQLRITNO-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.67
Rot. Bonds3

About 3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol

3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol (PubChem CID 171049127) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol.

Molecular Properties

Compound Name3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol
PubChem CID171049127
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol
SMILESCOc1ccc(Br)c(CC=C(C)C)c1O
InChIInChI=1S/C12H15BrO2/c1-8(2)4-5-9-10(13)6-7-11(15-3)12(9)14/h4,6-7,14H,5H2,1-3H3
InChIKeyRNDWLASQLRITNO-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol
CID 170865361
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988
(2E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-5-methylhexa-2,4-dien-1-one
CID 23110639
4-methoxy-3-(3-methylbut-2-enyl)phenol
CID 101027686
(6-bromo-2-hydroxy-3-methoxyphenyl)methyl-triphenylphosphanium
CID 86655560
2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117468151
2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol
CID 91460835
6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol
CID 101087040
(E)-3-(3,4-dimethoxyphenyl)-1-[2-hydroxy-4,6-dimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 6149251
5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
CID 21147603
4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol
CID 78200712

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol?
The IUPAC name of 3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol (CID 171049127) is 3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol.
What is the SMILES notation for 3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol?
The canonical SMILES for 3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol is COc1ccc(Br)c(CC=C(C)C)c1O.
What is the InChIKey of 3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol?
The InChIKey is RNDWLASQLRITNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-8(2)4-5-9-10(13)6-7-11(15-3)12(9)14/h4,6-7,14H,5H2,1-3H3.
What are the key properties of 3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol?
3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol has a molecular weight of 271.15 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol is sourced from PubChem (CID 171049127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).