2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene

C12H15BrO — CID 118325440

IUPAC2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene
SMILESC=CCC(C)Oc1ccc(C)cc1Br
InChIInChI=1S/C12H15BrO/c1-4-5-10(3)14-12-7-6-9(2)8-11(12)13/h4,6-8,10H,1,5H2,2-3H3
InChIKeyBVNLTVHCINVBMG-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.10
Rot. Bonds4

About 2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene

2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene (PubChem CID 118325440) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene.

Molecular Properties

Compound Name2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene
PubChem CID118325440
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene
SMILESC=CCC(C)Oc1ccc(C)cc1Br
InChIInChI=1S/C12H15BrO/c1-4-5-10(3)14-12-7-6-9(2)8-11(12)13/h4,6-8,10H,1,5H2,2-3H3
InChIKeyBVNLTVHCINVBMG-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118316335
2-bromo-4-methoxy-1-pent-4-en-2-yloxybenzene
CID 118325435
4-(2-bromo-4-methylphenoxy)pentan-2-one
CID 64699329
4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene
CID 130287639
ethyl 2-(2-bromo-4-methylphenoxy)-2-fluoroacetate
CID 79357029
2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62460334
4,4,5,5-tetramethyl-2-[3-(5-methyl-2-pent-4-en-2-yloxyphenyl)phenyl]-1,3,2-dioxaborolane
CID 123310060
(2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol
CID 58242000
1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118308830
4-[1-(2-bromo-4-methylphenoxy)ethyl]aniline
CID 61262605
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene
CID 145107879

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene?
The IUPAC name of 2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene (CID 118325440) is 2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene.
What is the SMILES notation for 2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene?
The canonical SMILES for 2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene is C=CCC(C)Oc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene?
The InChIKey is BVNLTVHCINVBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-4-5-10(3)14-12-7-6-9(2)8-11(12)13/h4,6-8,10H,1,5H2,2-3H3.
What are the key properties of 2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene?
2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene has a molecular weight of 255.15 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene is sourced from PubChem (CID 118325440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).