1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene

C14H19Br — CID 83936348

IUPAC1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene
SMILESCC/C=C\CC(C)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H19Br/c1-4-5-6-7-11(2)13-8-9-14(15)12(3)10-13/h5-6,8-11H,4,7H2,1-3H3/b6-5-
InChIKeyCIDRLGFNAMFBTG-WAYWQWQTSA-N
MW267.21 g/mol
LogP5.22
Rot. Bonds4

About 1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene

1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene (PubChem CID 83936348) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene
PubChem CID83936348
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene
SMILESCC/C=C\CC(C)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H19Br/c1-4-5-6-7-11(2)13-8-9-14(15)12(3)10-13/h5-6,8-11H,4,7H2,1-3H3/b6-5-
InChIKeyCIDRLGFNAMFBTG-WAYWQWQTSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.21
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene
CID 83928870
4-(4-bromo-3-methylphenyl)-5-methylhexan-3-one
CID 83936295
2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene
CID 83925790
2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
CID 66480993
1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
CID 153332149
1-(4-bromo-3-methylphenyl)ethylhydrazine
CID 53402303
3-(3-amino-4-bromophenyl)butanal
CID 117107539
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 124567296
3-[(Z)-hept-4-en-2-yl]pyridine
CID 83929814
2-bromo-2-(4-bromo-3-methylphenyl)-N,N-dimethylethanamine
CID 90679723
(1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine
CID 131144021
1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013094

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene (CID 83936348) is 1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene is CC/C=C\CC(C)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene?
The InChIKey is CIDRLGFNAMFBTG-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H19Br/c1-4-5-6-7-11(2)13-8-9-14(15)12(3)10-13/h5-6,8-11H,4,7H2,1-3H3/b6-5-.
What are the key properties of 1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene?
1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene has a molecular weight of 267.21 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene is sourced from PubChem (CID 83936348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).