2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde

C12H13ClO3 — CID 43366496

IUPAC2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
SMILESC=C(Cl)COc1c(C=O)cccc1OCC
InChIInChI=1S/C12H13ClO3/c1-3-15-11-6-4-5-10(7-14)12(11)16-8-9(2)13/h4-7H,2-3,8H2,1H3
InChIKeyUXSWLMOJTUPSJW-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.03
Rot. Bonds6

About 2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde

2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde (PubChem CID 43366496) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
PubChem CID43366496
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
SMILESC=C(Cl)COc1c(C=O)cccc1OCC
InChIInChI=1S/C12H13ClO3/c1-3-15-11-6-4-5-10(7-14)12(11)16-8-9(2)13/h4-7H,2-3,8H2,1H3
InChIKeyUXSWLMOJTUPSJW-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
CID 66044765
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde
CID 143712949
3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
CID 79624513
(2-ethoxy-6-formylphenyl) 3-chloropropanoate
CID 87707275
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
4-(2-ethoxy-6-formylphenoxy)butanenitrile
CID 43366511
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde?
The IUPAC name of 2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde (CID 43366496) is 2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde.
What is the SMILES notation for 2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde?
The canonical SMILES for 2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde is C=C(Cl)COc1c(C=O)cccc1OCC.
What is the InChIKey of 2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde?
The InChIKey is UXSWLMOJTUPSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-3-15-11-6-4-5-10(7-14)12(11)16-8-9(2)13/h4-7H,2-3,8H2,1H3.
What are the key properties of 2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde?
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde has a molecular weight of 240.69 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde is sourced from PubChem (CID 43366496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).