1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol

C12H14BrClO — CID 115834495

IUPAC1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H14BrClO/c1-8(2)3-6-12(15)9-4-5-10(13)11(14)7-9/h4-5,7,12,15H,1,3,6H2,2H3
InChIKeyKQUQFCCJZXICRB-UHFFFAOYSA-N
MW289.60 g/mol
LogP4.49
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol

1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol (PubChem CID 115834495) has the molecular formula C12H14BrClO and a molecular weight of 289.60 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol
PubChem CID115834495
Molecular FormulaC12H14BrClO
Molecular Weight289.60 g/mol
Exact Mass287.99
IUPAC Name1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H14BrClO/c1-8(2)3-6-12(15)9-4-5-10(13)11(14)7-9/h4-5,7,12,15H,1,3,6H2,2H3
InChIKeyKQUQFCCJZXICRB-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 54.49
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

1-(4-bromo-3-chlorophenyl)-3-methylbut-3-en-1-ol
CID 115816867
1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834621
1-(4-bromo-3-chlorophenyl)pent-4-yn-1-ol
CID 115799421
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
CID 114980844
1-(4-bromo-3-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 115780172
1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
CID 115818736
1-(2-bromo-5-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834630
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
1-(3-bromo-4-chlorophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114475733
1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine
CID 114475615
[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105257099
1-(4-bromo-3-chlorophenyl)-3-methylbut-2-en-1-ol
CID 115817113

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol (CID 115834495) is 1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol?
The InChIKey is KQUQFCCJZXICRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO/c1-8(2)3-6-12(15)9-4-5-10(13)11(14)7-9/h4-5,7,12,15H,1,3,6H2,2H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol?
1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol has a molecular weight of 289.60 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 115834495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).