1-(4-bromophenyl)-2-methylbut-3-en-1-ol

C11H13BrO — CID 14111207

IUPAC1-(4-bromophenyl)-2-methylbut-3-en-1-ol
SMILESC=CC(C)C(O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-8,11,13H,1H2,2H3
InChIKeySUQNGJGYTFBWMA-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-bromophenyl)-2-methylbut-3-en-1-ol

1-(4-bromophenyl)-2-methylbut-3-en-1-ol (PubChem CID 14111207) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-methylbut-3-en-1-ol
PubChem CID14111207
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-(4-bromophenyl)-2-methylbut-3-en-1-ol
SMILESC=CC(C)C(O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-8,11,13H,1H2,2H3
InChIKeySUQNGJGYTFBWMA-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-2-methylbut-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
1-bromo-4-but-3-en-2-ylbenzene
CID 575789
(1S)-1-(4-bromophenyl)prop-2-en-1-ol
CID 25140431
1-bromo-4-[(2R)-but-3-en-2-yl]benzene
CID 11241287
(1S,2R)-1-(4-bromophenyl)-2-(4-methoxyphenyl)but-3-en-1-ol
CID 101336331
(1R,2S)-1-(4-bromophenyl)-2-cyclopropylbut-3-en-1-ol
CID 134954259
1-(3-aminophenyl)-2-methylbut-3-en-1-ol
CID 142652778
[1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate
CID 142779505
(3R,4S)-4-(4-bromophenyl)-4-hydroxy-3-methylbutan-2-one
CID 129404262
bromobenzene;pent-4-en-2-ol
CID 145155051
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
1-bromo-4-(1-iodoprop-2-enyl)benzene
CID 69469784

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-methylbut-3-en-1-ol?
The IUPAC name of 1-(4-bromophenyl)-2-methylbut-3-en-1-ol (CID 14111207) is 1-(4-bromophenyl)-2-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-2-methylbut-3-en-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-2-methylbut-3-en-1-ol is C=CC(C)C(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-methylbut-3-en-1-ol?
The InChIKey is SUQNGJGYTFBWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-8,11,13H,1H2,2H3.
What are the key properties of 1-(4-bromophenyl)-2-methylbut-3-en-1-ol?
1-(4-bromophenyl)-2-methylbut-3-en-1-ol has a molecular weight of 241.13 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 14111207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).