2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal

C12H14F2O3 — CID 134639459

IUPAC2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal
SMILESCCOc1cccc(OC(F)F)c1C(C)C=O
InChIInChI=1S/C12H14F2O3/c1-3-16-9-5-4-6-10(17-12(13)14)11(9)8(2)7-15/h4-8,12H,3H2,1-2H3
InChIKeyYQROQDATTJPOSD-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.99
Rot. Bonds6

About 2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal

2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal (PubChem CID 134639459) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal
PubChem CID134639459
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal
SMILESCCOc1cccc(OC(F)F)c1C(C)C=O
InChIInChI=1S/C12H14F2O3/c1-3-16-9-5-4-6-10(17-12(13)14)11(9)8(2)7-15/h4-8,12H,3H2,1-2H3
InChIKeyYQROQDATTJPOSD-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.99
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

2-(2-ethoxy-6-sulfanylphenyl)propanal
CID 134639561
2-(2-chloro-6-ethoxyphenyl)propanal
CID 134639769
2-[3-(difluoromethyl)-2-ethoxyphenyl]propanal
CID 134639454
1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 171027360
2-ethoxy-6-(1-oxopropan-2-yl)benzonitrile
CID 134639504
2-[3-(difluoromethoxy)-2-nitrophenyl]propanal
CID 134639737
1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene
CID 165468768
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
2-[5-(difluoromethyl)-2-ethoxyphenyl]propanal
CID 134639427
3-bromo-1-[2-(difluoromethoxy)-3-ethoxyphenyl]propan-1-one
CID 134624345
3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enal
CID 79332023
3-[2-(difluoromethoxy)-6-ethoxyphenyl]propanenitrile
CID 118808962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal?
The IUPAC name of 2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal (CID 134639459) is 2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal.
What is the SMILES notation for 2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal?
The canonical SMILES for 2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal is CCOc1cccc(OC(F)F)c1C(C)C=O.
What is the InChIKey of 2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal?
The InChIKey is YQROQDATTJPOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-3-16-9-5-4-6-10(17-12(13)14)11(9)8(2)7-15/h4-8,12H,3H2,1-2H3.
What are the key properties of 2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal?
2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal has a molecular weight of 244.24 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal is sourced from PubChem (CID 134639459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).