2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde

C11H11ClO2 — CID 117300814

IUPAC2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde
SMILESC=C(C)COc1cccc(C=O)c1Cl
InChIInChI=1S/C11H11ClO2/c1-8(2)7-14-10-5-3-4-9(6-13)11(10)12/h3-6H,1,7H2,2H3
InChIKeyVMRPKICDDSEJRK-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.11
Rot. Bonds4

About 2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde

2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde (PubChem CID 117300814) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde
PubChem CID117300814
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde
SMILESC=C(C)COc1cccc(C=O)c1Cl
InChIInChI=1S/C11H11ClO2/c1-8(2)7-14-10-5-3-4-9(6-13)11(10)12/h3-6H,1,7H2,2H3
InChIKeyVMRPKICDDSEJRK-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-chloro-3-ethoxybenzaldehyde
CID 87224592
2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzaldehyde
CID 54849707
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
2-amino-2-[2-chloro-3-(2-methylprop-2-enoxy)phenyl]acetic acid
CID 117392247
3-[2-chloro-3-(2-methylprop-2-enoxy)phenyl]-3-methylbutanoic acid
CID 117454490
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496
2-chloro-1-(1-isocyanatocyclobutyl)-3-(2-methylprop-2-enoxy)benzene
CID 117445181
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
CID 66044765
3-chloro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 112611214
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde?
The IUPAC name of 2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde (CID 117300814) is 2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde?
The canonical SMILES for 2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde is C=C(C)COc1cccc(C=O)c1Cl.
What is the InChIKey of 2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde?
The InChIKey is VMRPKICDDSEJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-8(2)7-14-10-5-3-4-9(6-13)11(10)12/h3-6H,1,7H2,2H3.
What are the key properties of 2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde?
2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde has a molecular weight of 210.66 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde is sourced from PubChem (CID 117300814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).