2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene

C14H17Br — CID 83921681

IUPAC2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene
SMILESCC#CC(C)Cc1ccc(CC)c(Br)c1
InChIInChI=1S/C14H17Br/c1-4-6-11(3)9-12-7-8-13(5-2)14(15)10-12/h7-8,10-11H,5,9H2,1-3H3
InChIKeyZORTYIFUBIXUSK-UHFFFAOYSA-N
MW265.19 g/mol
LogP4.21
Rot. Bonds3

About 2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene

2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene (PubChem CID 83921681) has the molecular formula C14H17Br and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene.

Molecular Properties

Compound Name2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene
PubChem CID83921681
Molecular FormulaC14H17Br
Molecular Weight265.19 g/mol
Exact Mass264.05
IUPAC Name2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene
SMILESCC#CC(C)Cc1ccc(CC)c(Br)c1
InChIInChI=1S/C14H17Br/c1-4-6-11(3)9-12-7-8-13(5-2)14(15)10-12/h7-8,10-11H,5,9H2,1-3H3
InChIKeyZORTYIFUBIXUSK-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-diethyl-2-(2-methylpent-3-ynyl)benzene
CID 83920969
3-(3-bromo-4-ethylphenyl)-2-methylpropane-1-thiol
CID 83921609
2-bromo-1-ethyl-4-propylbenzene
CID 67149961
(2S)-3-(2-bromo-4-ethylphenyl)-2-methylpropanoic acid
CID 129411362
O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine
CID 130051996
1,4-diethyl-2-(2-methylhex-3-ynyl)benzene
CID 83920970
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
3-bromo-4-ethylbenzenethiol
CID 91873957
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
3-(2-bromo-4-ethylphenyl)-2-methylpropanoic acid;3-(2-bromo-4-ethylphenyl)-2-methylpropanoyl chloride;thionyl dichloride
CID 157324611

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene?
The IUPAC name of 2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene (CID 83921681) is 2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene.
What is the SMILES notation for 2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene?
The canonical SMILES for 2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene is CC#CC(C)Cc1ccc(CC)c(Br)c1.
What is the InChIKey of 2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene?
The InChIKey is ZORTYIFUBIXUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br/c1-4-6-11(3)9-12-7-8-13(5-2)14(15)10-12/h7-8,10-11H,5,9H2,1-3H3.
What are the key properties of 2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene?
2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene has a molecular weight of 265.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene is sourced from PubChem (CID 83921681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).