1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene

C16H23BrO2 — CID 83934178

IUPAC1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
SMILESC/C=C\C(C)Cc1cc(Br)c(OCC)cc1OCC
InChIInChI=1S/C16H23BrO2/c1-5-8-12(4)9-13-10-14(17)16(19-7-3)11-15(13)18-6-2/h5,8,10-12H,6-7,9H2,1-4H3/b8-5-
InChIKeyWBYGGEYMPKCYNJ-YVMONPNESA-N
MW327.26 g/mol
LogP5.00
Rot. Bonds7

About 1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene

1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene (PubChem CID 83934178) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene.

Molecular Properties

Compound Name1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
PubChem CID83934178
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
SMILESC/C=C\C(C)Cc1cc(Br)c(OCC)cc1OCC
InChIInChI=1S/C16H23BrO2/c1-5-8-12(4)9-13-10-14(17)16(19-7-3)11-15(13)18-6-2/h5,8,10-12H,6-7,9H2,1-4H3/b8-5-
InChIKeyWBYGGEYMPKCYNJ-YVMONPNESA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.26
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
CID 83943473
1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene
CID 83943475
1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene
CID 83925856
2-bromo-1-ethoxy-4-(2-methylbut-3-enyl)benzene
CID 83926250
1-bromo-4-ethoxy-2,5-diethylbenzene
CID 146408869
2-[2-(5-bromo-2,4-diethoxyphenyl)ethyl]-3-methyloxirane
CID 83934180
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
1,4-bis(bromomethyl)-2,5-diethoxybenzene
CID 22590203
1-chloro-4,5-diethoxy-2-(2-methylbut-3-enyl)benzene
CID 83943768
1-bromo-2,4-diethoxy-5-pent-4-yn-2-ylbenzene
CID 83934160
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene?
The IUPAC name of 1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene (CID 83934178) is 1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene.
What is the SMILES notation for 1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene?
The canonical SMILES for 1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene is C/C=C\C(C)Cc1cc(Br)c(OCC)cc1OCC.
What is the InChIKey of 1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene?
The InChIKey is WBYGGEYMPKCYNJ-YVMONPNESA-N. The full InChI is InChI=1S/C16H23BrO2/c1-5-8-12(4)9-13-10-14(17)16(19-7-3)11-15(13)18-6-2/h5,8,10-12H,6-7,9H2,1-4H3/b8-5-.
What are the key properties of 1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene?
1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene has a molecular weight of 327.26 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene is sourced from PubChem (CID 83934178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).