3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde

C11H13ClO2 — CID 171085182

IUPAC3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde
SMILESCCOc1c(Cl)cc(C)c(C)c1C=O
InChIInChI=1S/C11H13ClO2/c1-4-14-11-9(6-13)8(3)7(2)5-10(11)12/h5-6H,4H2,1-3H3
InChIKeyFEEWVEDECAPEKZ-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde

3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde (PubChem CID 171085182) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde
PubChem CID171085182
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde
SMILESCCOc1c(Cl)cc(C)c(C)c1C=O
InChIInChI=1S/C11H13ClO2/c1-4-14-11-9(6-13)8(3)7(2)5-10(11)12/h5-6H,4H2,1-3H3
InChIKeyFEEWVEDECAPEKZ-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.17
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

4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-one
CID 82266724
5-chloro-2-ethoxy-3,6-dimethylbenzamide
CID 82266739
2,3,4,6-tetrachloro-5-ethoxybenzaldehyde
CID 131857885
5-tert-butyl-3-chloro-2-ethoxybenzaldehyde
CID 99122041
1,4-diethoxynaphthalene-2,3-dicarbaldehyde
CID 88868655
1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
CID 174707577
CID 174707577
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
CID 83940649
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene
CID 83940652
(Z)-3-(5-chloro-2-ethoxy-3-methylphenyl)prop-2-enoic acid
CID 83969113
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 83940616

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde?
The IUPAC name of 3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde (CID 171085182) is 3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde.
What is the SMILES notation for 3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde?
The canonical SMILES for 3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde is CCOc1c(Cl)cc(C)c(C)c1C=O.
What is the InChIKey of 3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde?
The InChIKey is FEEWVEDECAPEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-4-14-11-9(6-13)8(3)7(2)5-10(11)12/h5-6H,4H2,1-3H3.
What are the key properties of 3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde?
3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde has a molecular weight of 212.68 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde is sourced from PubChem (CID 171085182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).