1-(2-bromoprop-2-enyl)-4-tert-butylbenzene

C13H17Br — CID 2756861

IUPAC1-(2-bromoprop-2-enyl)-4-tert-butylbenzene
SMILESC=C(Br)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H17Br/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,1,9H2,2-4H3
InChIKeyPBDHFPPZLPMVQN-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.44
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-4-tert-butylbenzene

1-(2-bromoprop-2-enyl)-4-tert-butylbenzene (PubChem CID 2756861) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-4-tert-butylbenzene.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-4-tert-butylbenzene
PubChem CID2756861
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name1-(2-bromoprop-2-enyl)-4-tert-butylbenzene
SMILESC=C(Br)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H17Br/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,1,9H2,2-4H3
InChIKeyPBDHFPPZLPMVQN-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-[2-(chloromethyl)prop-2-enyl]benzene
CID 14879909
4-(2-bromoprop-2-enyl)-N,N-dimethylaniline
CID 24721880
1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene
CID 82255100
CID 162424412
CID 162424412
1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
CID 141254494
1-(4-tert-butylphenyl)-3-chloropropan-2-one
CID 87878466
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1-[2-[(4-tert-butylphenyl)methyl]prop-2-enylamino]propan-2-ol
CID 155908446
ethenyl 2-(4-tert-butylphenyl)acetate
CID 141004101
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
1-tert-butyl-4-ethylbenzene
CID 157359507
1-tert-butyl-4-(2-methylpent-2-enyl)benzene
CID 57230599

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-4-tert-butylbenzene?
The IUPAC name of 1-(2-bromoprop-2-enyl)-4-tert-butylbenzene (CID 2756861) is 1-(2-bromoprop-2-enyl)-4-tert-butylbenzene.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-4-tert-butylbenzene?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-4-tert-butylbenzene is C=C(Br)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-4-tert-butylbenzene?
The InChIKey is PBDHFPPZLPMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,1,9H2,2-4H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-4-tert-butylbenzene?
1-(2-bromoprop-2-enyl)-4-tert-butylbenzene has a molecular weight of 253.18 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-4-tert-butylbenzene is sourced from PubChem (CID 2756861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).