(E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol

C11H12BrFO — CID 171367302

IUPAC(E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol
SMILESC/C=C/C(O)c1c(F)cc(C)cc1Br
InChIInChI=1S/C11H12BrFO/c1-3-4-10(14)11-8(12)5-7(2)6-9(11)13/h3-6,10,14H,1-2H3/b4-3+
InChIKeyPWQUXQDXUQQKSC-ONEGZZNKSA-N
MW259.12 g/mol
LogP3.51
Rot. Bonds2

About (E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol

(E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol (PubChem CID 171367302) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is (E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol
PubChem CID171367302
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name(E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol
SMILESC/C=C/C(O)c1c(F)cc(C)cc1Br
InChIInChI=1S/C11H12BrFO/c1-3-4-10(14)11-8(12)5-7(2)6-9(11)13/h3-6,10,14H,1-2H3/b4-3+
InChIKeyPWQUXQDXUQQKSC-ONEGZZNKSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-6-fluoro-4-methylphenyl)-(4-fluorophenyl)methanol
CID 171366941
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
(E)-1-(4-methylphenyl)but-2-en-1-ol
CID 10866652
(4-bromo-3-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884138
1-(2,6-difluoro-4-methylphenyl)but-3-en-1-ol
CID 130927584
2-bromo-6-fluoro-4-methylbenzoic acid
CID 119019979
(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106880546
(2-bromo-6-fluoro-4-methylphenyl)urea
CID 141173640
1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene
CID 131118036
4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol
CID 84706862
2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 63489722
2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone
CID 131293210

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol?
The IUPAC name of (E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol (CID 171367302) is (E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol?
The canonical SMILES for (E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol is C/C=C/C(O)c1c(F)cc(C)cc1Br.
What is the InChIKey of (E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol?
The InChIKey is PWQUXQDXUQQKSC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12BrFO/c1-3-4-10(14)11-8(12)5-7(2)6-9(11)13/h3-6,10,14H,1-2H3/b4-3+.
What are the key properties of (E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol?
(E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol has a molecular weight of 259.12 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-bromo-6-fluoro-4-methylphenyl)but-2-en-1-ol is sourced from PubChem (CID 171367302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).