1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene

C15H19BrO — CID 79323305

IUPAC1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene
SMILESC=CCOc1ccccc1C=C(CBr)C(C)C
InChIInChI=1S/C15H19BrO/c1-4-9-17-15-8-6-5-7-13(15)10-14(11-16)12(2)3/h4-8,10,12H,1,9,11H2,2-3H3
InChIKeyFWGQQAKVTDCLDZ-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.69
Rot. Bonds6

About 1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene

1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene (PubChem CID 79323305) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene
PubChem CID79323305
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene
SMILESC=CCOc1ccccc1C=C(CBr)C(C)C
InChIInChI=1S/C15H19BrO/c1-4-9-17-15-8-6-5-7-13(15)10-14(11-16)12(2)3/h4-8,10,12H,1,9,11H2,2-3H3
InChIKeyFWGQQAKVTDCLDZ-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2-methyl-3-(2-prop-2-enoxyphenyl)prop-2-enoate
CID 15292046
1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene
CID 79323139
N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79330139
(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43352799
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
CID 79335813
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79334601
(2-prop-2-enoxyphenyl)methanol
CID 11137475
1-[2-(bromomethyl)but-1-enyl]-2-ethoxybenzene
CID 79324457
1-(3-bromo-2-methylprop-1-enyl)-2-propan-2-yloxybenzene
CID 79324011
N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79330119
(2-prop-2-enoxyphenyl)methanetriol
CID 23453506

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene?
The IUPAC name of 1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene (CID 79323305) is 1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene?
The canonical SMILES for 1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene is C=CCOc1ccccc1C=C(CBr)C(C)C.
What is the InChIKey of 1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene?
The InChIKey is FWGQQAKVTDCLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-4-9-17-15-8-6-5-7-13(15)10-14(11-16)12(2)3/h4-8,10,12H,1,9,11H2,2-3H3.
What are the key properties of 1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene?
1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene has a molecular weight of 295.22 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene is sourced from PubChem (CID 79323305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).