1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene

C17H25ClO2 — CID 83943475

IUPAC1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene
SMILESCC/C=C\C(C)Cc1cc(Cl)c(OCC)cc1OCC
InChIInChI=1S/C17H25ClO2/c1-5-8-9-13(4)10-14-11-15(18)17(20-7-3)12-16(14)19-6-2/h8-9,11-13H,5-7,10H2,1-4H3/b9-8-
InChIKeyXGIZQZSYDFDPKK-HJWRWDBZSA-N
MW296.84 g/mol
LogP5.28
Rot. Bonds8

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

1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene (PubChem CID 83943475) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene.

Molecular Properties

Compound Name1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene
PubChem CID83943475
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene
SMILESCC/C=C\C(C)Cc1cc(Cl)c(OCC)cc1OCC
InChIInChI=1S/C17H25ClO2/c1-5-8-9-13(4)10-14-11-15(18)17(20-7-3)12-16(14)19-6-2/h8-9,11-13H,5-7,10H2,1-4H3/b9-8-
InChIKeyXGIZQZSYDFDPKK-HJWRWDBZSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.84
LogP ≤ 55.28
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
3-(5-chloro-2,4-diethoxyphenyl)-2-methylpropane-1-thiol
CID 83943394
1-chloro-2,4-diethoxy-5-(2-methylbut-3-ynyl)benzene
CID 83943457
1-chloro-2,4-diethoxy-5-(2-methylhex-3-ynyl)benzene
CID 83943459
1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
CID 83934178
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
CID 83940649
5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
CID 83943497
6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 83931918
2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene
CID 83934383
1-chloro-4,5-diethoxy-2-(2-methylbut-3-enyl)benzene
CID 83943768
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83943406

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene?
The IUPAC name of 1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene (CID 83943475) is 1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene.
What is the SMILES notation for 1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene?
The canonical SMILES for 1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene is CC/C=C\C(C)Cc1cc(Cl)c(OCC)cc1OCC.
What is the InChIKey of 1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene?
The InChIKey is XGIZQZSYDFDPKK-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-5-8-9-13(4)10-14-11-15(18)17(20-7-3)12-16(14)19-6-2/h8-9,11-13H,5-7,10H2,1-4H3/b9-8-.
What are the key properties of 1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene?
1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene has a molecular weight of 296.84 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene is sourced from PubChem (CID 83943475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).