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

C16H23ClO2 — CID 83943473

IUPAC1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
SMILESC/C=C\C(C)Cc1cc(Cl)c(OCC)cc1OCC
InChIInChI=1S/C16H23ClO2/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-
InChIKeyPQMXNNYDVVXOCJ-YVMONPNESA-N
MW282.81 g/mol
LogP4.89
Rot. Bonds7

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

1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene (PubChem CID 83943473) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene.

Molecular Properties

Compound Name1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
PubChem CID83943473
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
SMILESC/C=C\C(C)Cc1cc(Cl)c(OCC)cc1OCC
InChIInChI=1S/C16H23ClO2/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-
InChIKeyPQMXNNYDVVXOCJ-YVMONPNESA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.89
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-methylhex-3-enyl]benzene
CID 83943475
1-bromo-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
CID 83934178
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-chloro-4,5-diethoxy-2-(2-methylbut-3-enyl)benzene
CID 83943768
1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene
CID 83943354
5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
CID 83943497
2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83943406
4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
CID 83943487
5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene
CID 83938771
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene?
The IUPAC name of 1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene (CID 83943473) is 1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene.
What is the SMILES notation for 1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene?
The canonical SMILES for 1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene is C/C=C\C(C)Cc1cc(Cl)c(OCC)cc1OCC.
What is the InChIKey of 1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene?
The InChIKey is PQMXNNYDVVXOCJ-YVMONPNESA-N. The full InChI is InChI=1S/C16H23ClO2/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-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene?
1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene has a molecular weight of 282.81 g/mol, XLogP of 4.89, 7 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-methylpent-3-enyl]benzene is sourced from PubChem (CID 83943473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).