3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal

C10H10F2O3 — CID 134621127

IUPAC3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal
SMILESO=CCCc1ccc(O)cc1OC(F)F
InChIInChI=1S/C10H10F2O3/c11-10(12)15-9-6-8(14)4-3-7(9)2-1-5-13/h3-6,10,14H,1-2H2
InChIKeyKGEHADWETGEYGQ-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.13
Rot. Bonds5

About 3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal

3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal (PubChem CID 134621127) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal
PubChem CID134621127
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal
SMILESO=CCCc1ccc(O)cc1OC(F)F
InChIInChI=1S/C10H10F2O3/c11-10(12)15-9-6-8(14)4-3-7(9)2-1-5-13/h3-6,10,14H,1-2H2
InChIKeyKGEHADWETGEYGQ-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(difluoromethoxy)-4-(3-oxopropyl)benzoate
CID 134649793
1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
CID 170836550
3-(2-fluoro-5-hydroxyphenyl)propanal
CID 117276583
3-[2-(difluoromethoxy)-5-methylphenyl]propanal
CID 118848434
3-[4-(difluoromethoxy)-2-fluorophenyl]propanal
CID 134621994
3-[4-(difluoromethoxy)-2-ethoxyphenyl]propanal
CID 118834404
3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal
CID 134621112
3-[2-bromo-3-(difluoromethoxy)phenyl]propanal
CID 134621335
3-[4-(difluoromethoxy)-2-sulfanylphenyl]propanal
CID 118818662
3-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]propanal
CID 174901017
4-(difluoromethoxy)-3-(3-oxopropyl)benzonitrile
CID 118823117
4-(difluoromethoxy)-2-(3-oxopropyl)benzoic acid
CID 118817498

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal?
The IUPAC name of 3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal (CID 134621127) is 3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal.
What is the SMILES notation for 3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal?
The canonical SMILES for 3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal is O=CCCc1ccc(O)cc1OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal?
The InChIKey is KGEHADWETGEYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c11-10(12)15-9-6-8(14)4-3-7(9)2-1-5-13/h3-6,10,14H,1-2H2.
What are the key properties of 3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal?
3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal has a molecular weight of 216.18 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal is sourced from PubChem (CID 134621127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).