4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde

C11H11ClO2 — CID 106438554

IUPAC4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde
SMILESC/C(=C/Cl)COc1ccc(C=O)cc1
InChIInChI=1S/C11H11ClO2/c1-9(6-12)8-14-11-4-2-10(7-13)3-5-11/h2-7H,8H2,1H3/b9-6-
InChIKeyFZCFXPQASYVJJF-TWGQIWQCSA-N
MW210.66 g/mol
LogP3.02
Rot. Bonds4

About 4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde

4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde (PubChem CID 106438554) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde
PubChem CID106438554
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde
SMILESC/C(=C/Cl)COc1ccc(C=O)cc1
InChIInChI=1S/C11H11ClO2/c1-9(6-12)8-14-11-4-2-10(7-13)3-5-11/h2-7H,8H2,1H3/b9-6-
InChIKeyFZCFXPQASYVJJF-TWGQIWQCSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde
CID 106438593
ethyl 4-[(E)-3-chloro-2-methylprop-2-enoxy]benzoate
CID 106436664
1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene
CID 106440303
(1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
CID 106438842
N-[[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]-2-methoxyethanamine
CID 106436928
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
4-(4-methylpent-3-enoxy)benzaldehyde
CID 139652723
propyl 2-(4-formylphenoxy)acetate
CID 17245126
4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde
CID 23408905
ethyl 4-(4-formylphenoxy)-3-oxobutanoate
CID 60643731
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde?
The IUPAC name of 4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde (CID 106438554) is 4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde.
What is the SMILES notation for 4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde?
The canonical SMILES for 4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde is C/C(=C/Cl)COc1ccc(C=O)cc1.
What is the InChIKey of 4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde?
The InChIKey is FZCFXPQASYVJJF-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-9(6-12)8-14-11-4-2-10(7-13)3-5-11/h2-7H,8H2,1H3/b9-6-.
What are the key properties of 4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde?
4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde has a molecular weight of 210.66 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde is sourced from PubChem (CID 106438554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).