1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene

C13H17ClO2 — CID 83943354

IUPAC1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C13H17ClO2/c1-5-9(2)6-10-7-11(14)13(16-4)8-12(10)15-3/h5,7-9H,1,6H2,2-4H3
InChIKeyDRUYZDJSQJFZNJ-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.72
Rot. Bonds5

About 1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene

1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene (PubChem CID 83943354) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene
PubChem CID83943354
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C13H17ClO2/c1-5-9(2)6-10-7-11(14)13(16-4)8-12(10)15-3/h5,7-9H,1,6H2,2-4H3
InChIKeyDRUYZDJSQJFZNJ-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.72
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-dimethoxy-5-(2-methylbut-3-ynyl)benzene
CID 83943337
4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
CID 83933802
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
1-chloro-4,5-diethoxy-2-(2-methylbut-3-enyl)benzene
CID 83943768
[3-(5-chloro-2,4-dimethoxyphenyl)-2-methylpropyl] thiocyanate
CID 112719666
1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
CID 83943473
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene
CID 83941256
1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene
CID 83943475
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
CID 83941599

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene?
The IUPAC name of 1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene (CID 83943354) is 1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene.
What is the SMILES notation for 1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene?
The canonical SMILES for 1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene is C=CC(C)Cc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene?
The InChIKey is DRUYZDJSQJFZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-5-9(2)6-10-7-11(14)13(16-4)8-12(10)15-3/h5,7-9H,1,6H2,2-4H3.
What are the key properties of 1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene?
1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene has a molecular weight of 240.73 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene is sourced from PubChem (CID 83943354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).