4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene

C11H13ClO2 — CID 68967130

IUPAC4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1ccc(Cl)cc1OC
InChIInChI=1S/C11H13ClO2/c1-8(2)7-14-10-5-4-9(12)6-11(10)13-3/h4-6H,1,7H2,2-3H3
InChIKeyXYHJNGAWWRSTPU-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.30
Rot. Bonds4

About 4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene

4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene (PubChem CID 68967130) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene.

Molecular Properties

Compound Name4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
PubChem CID68967130
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1ccc(Cl)cc1OC
InChIInChI=1S/C11H13ClO2/c1-8(2)7-14-10-5-4-9(12)6-11(10)13-3/h4-6H,1,7H2,2-3H3
InChIKeyXYHJNGAWWRSTPU-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.30
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-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 43503877
3-methoxy-4-(2-methylprop-2-enoxy)benzonitrile
CID 2972917
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60880342
4-chloro-1-(2-methylprop-2-enoxy)-2-nitrobenzene
CID 46850457
1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene
CID 177336564
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
N-[[5-chloro-3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 104664908
N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847984
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
CID 143014444
(4-chloro-2-methoxyphenyl) acetate
CID 45073631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene?
The IUPAC name of 4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene (CID 68967130) is 4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene.
What is the SMILES notation for 4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene?
The canonical SMILES for 4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene is C=C(C)COc1ccc(Cl)cc1OC.
What is the InChIKey of 4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene?
The InChIKey is XYHJNGAWWRSTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(2)7-14-10-5-4-9(12)6-11(10)13-3/h4-6H,1,7H2,2-3H3.
What are the key properties of 4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene?
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene has a molecular weight of 212.68 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene is sourced from PubChem (CID 68967130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).