5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene

C14H19BrO3 — CID 67644714

IUPAC5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(/C=C\CCCBr)cc(OC)c1OC
InChIInChI=1S/C14H19BrO3/c1-16-12-9-11(7-5-4-6-8-15)10-13(17-2)14(12)18-3/h5,7,9-10H,4,6,8H2,1-3H3/b7-5-
InChIKeyFPOGNRSAHZCJER-ALCCZGGFSA-N
MW315.21 g/mol
LogP3.90
Rot. Bonds7

About 5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene

5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene (PubChem CID 67644714) has the molecular formula C14H19BrO3 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene
PubChem CID67644714
Molecular FormulaC14H19BrO3
Molecular Weight315.21 g/mol
Exact Mass314.05
IUPAC Name5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(/C=C\CCCBr)cc(OC)c1OC
InChIInChI=1S/C14H19BrO3/c1-16-12-9-11(7-5-4-6-8-15)10-13(17-2)14(12)18-3/h5,7,9-10H,4,6,8H2,1-3H3/b7-5-
InChIKeyFPOGNRSAHZCJER-ALCCZGGFSA-N
XLogP3.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 102253112
5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 56935715
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 141151486
3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate
CID 162966956
5-(10-bromodecyl)-1,2,3-trimethoxybenzene
CID 156501832
N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79341177
1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene
CID 102439840
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
CID 20785899
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene (CID 67644714) is 5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene is COc1cc(/C=C\CCCBr)cc(OC)c1OC.
What is the InChIKey of 5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene?
The InChIKey is FPOGNRSAHZCJER-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H19BrO3/c1-16-12-9-11(7-5-4-6-8-15)10-13(17-2)14(12)18-3/h5,7,9-10H,4,6,8H2,1-3H3/b7-5-.
What are the key properties of 5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene?
5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene has a molecular weight of 315.21 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 67644714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).