4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene

C17H19Br — CID 138486357

IUPAC4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene
SMILESC=C(C1=CCCC=C1)c1cc(Br)ccc1CCC
InChIInChI=1S/C17H19Br/c1-3-7-15-10-11-16(18)12-17(15)13(2)14-8-5-4-6-9-14/h5,8-12H,2-4,6-7H2,1H3
InChIKeyQRJNDQRLUYZSDA-UHFFFAOYSA-N
MW303.24 g/mol
LogP5.69
Rot. Bonds4

About 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene

4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene (PubChem CID 138486357) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene.

Molecular Properties

Compound Name4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene
PubChem CID138486357
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene
SMILESC=C(C1=CCCC=C1)c1cc(Br)ccc1CCC
InChIInChI=1S/C17H19Br/c1-3-7-15-10-11-16(18)12-17(15)13(2)14-8-5-4-6-9-14/h5,8-12H,2-4,6-7H2,1H3
InChIKeyQRJNDQRLUYZSDA-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.24
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline
CID 143494911
1-(2-propylphenyl)ethenol
CID 89240118
6-bromo-3-propylchromen-2-one
CID 57275772
4-bromo-1,2-bis(hept-1-en-2-yl)benzene
CID 174705030
ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene
CID 143675251
2,5-dipropylbenzoic acid
CID 139904729
2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene
CID 150188224
ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene
CID 143112871
2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene
CID 177145999
ethyl 5-bromo-2-(3-bromopropyl)benzoate
CID 134633528
3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline
CID 167073155
methyl 2-(2-aminoethyl)-5-bromobenzoate
CID 44828922

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene?
The IUPAC name of 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene (CID 138486357) is 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene.
What is the SMILES notation for 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene?
The canonical SMILES for 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene is C=C(C1=CCCC=C1)c1cc(Br)ccc1CCC.
What is the InChIKey of 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene?
The InChIKey is QRJNDQRLUYZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c1-3-7-15-10-11-16(18)12-17(15)13(2)14-8-5-4-6-9-14/h5,8-12H,2-4,6-7H2,1H3.
What are the key properties of 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene?
4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene has a molecular weight of 303.24 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene is sourced from PubChem (CID 138486357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).