4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene

C14H19BrO — CID 83934016

IUPAC4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene
SMILESC=CC(C)Cc1cc(Br)ccc1OCCC
InChIInChI=1S/C14H19BrO/c1-4-8-16-14-7-6-13(15)10-12(14)9-11(3)5-2/h5-7,10-11H,2,4,8-9H2,1,3H3
InChIKeyDUEZIHRLJFCMCC-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.60
Rot. Bonds6

About 4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene

4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene (PubChem CID 83934016) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene
PubChem CID83934016
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene
SMILESC=CC(C)Cc1cc(Br)ccc1OCCC
InChIInChI=1S/C14H19BrO/c1-4-8-16-14-7-6-13(15)10-12(14)9-11(3)5-2/h5-7,10-11H,2,4,8-9H2,1,3H3
InChIKeyDUEZIHRLJFCMCC-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.60
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

4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
CID 83933802
1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene
CID 83934194
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
1-(5-bromo-2-octoxyphenyl)propan-2-amine
CID 63421163
1-(5-bromo-2-prop-2-enoxyphenyl)propan-2-amine
CID 60907452
N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine
CID 63479004
1-(5-bromo-2-propoxyphenyl)-N-(2-methylpropoxy)methanamine
CID 82712779
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63453722
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
1-(5-bromo-2-pentoxyphenyl)butan-2-amine
CID 55197493
N-[(5-bromo-2-propoxyphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047756
(5-bromo-2-propoxyphenyl)methanesulfonyl chloride
CID 165446942

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene?
The IUPAC name of 4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene (CID 83934016) is 4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene.
What is the SMILES notation for 4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene?
The canonical SMILES for 4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene is C=CC(C)Cc1cc(Br)ccc1OCCC.
What is the InChIKey of 4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene?
The InChIKey is DUEZIHRLJFCMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-4-8-16-14-7-6-13(15)10-12(14)9-11(3)5-2/h5-7,10-11H,2,4,8-9H2,1,3H3.
What are the key properties of 4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene?
4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene has a molecular weight of 283.21 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene is sourced from PubChem (CID 83934016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).