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

C13H17BrO — CID 115834621

IUPAC1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H17BrO/c1-9(2)4-7-13(15)11-6-5-10(3)12(14)8-11/h5-6,8,13,15H,1,4,7H2,2-3H3
InChIKeyWKEJQOMHMTWFFD-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.15
Rot. Bonds4

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

1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol (PubChem CID 115834621) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
PubChem CID115834621
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H17BrO/c1-9(2)4-7-13(15)11-6-5-10(3)12(14)8-11/h5-6,8,13,15H,1,4,7H2,2-3H3
InChIKeyWKEJQOMHMTWFFD-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.15
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-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol
CID 115834495
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol
CID 115810923
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
1-(3-bromo-4-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780268
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
1-(2-bromo-5-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834630
(1S)-1-(3-bromo-4-methylphenyl)-2-(chloroamino)ethanol
CID 58666985
1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
CID 114473769

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol (CID 115834621) is 1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol?
The InChIKey is WKEJQOMHMTWFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-9(2)4-7-13(15)11-6-5-10(3)12(14)8-11/h5-6,8,13,15H,1,4,7H2,2-3H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol?
1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol has a molecular weight of 269.18 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 115834621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).