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

C10H10F2O3 — CID 134621112

IUPAC3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal
SMILESO=CCCc1cccc(O)c1OC(F)F
InChIInChI=1S/C10H10F2O3/c11-10(12)15-9-7(4-2-6-13)3-1-5-8(9)14/h1,3,5-6,10,14H,2,4H2
InChIKeyHRDUVEVVKDNDPK-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.13
Rot. Bonds5

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

3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal (PubChem CID 134621112) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal
PubChem CID134621112
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal
SMILESO=CCCc1cccc(O)c1OC(F)F
InChIInChI=1S/C10H10F2O3/c11-10(12)15-9-7(4-2-6-13)3-1-5-8(9)14/h1,3,5-6,10,14H,2,4H2
InChIKeyHRDUVEVVKDNDPK-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

1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118852546
3-[2-bromo-3-(difluoromethoxy)phenyl]propanal
CID 134621335
3-(4-hydroxynaphthalen-1-yl)propanal
CID 144651527
3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal
CID 134621601
3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal
CID 134621127
3-(3-fluoro-2-hydroxyphenyl)propanal
CID 117276587
3-[4-(difluoromethoxy)-2-fluorophenyl]propanal
CID 134621994
4-(difluoromethoxy)-2-(3-oxopropyl)benzoic acid
CID 118817498
3-[2-chloro-6-(difluoromethoxy)phenyl]propanal
CID 134621463
3-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propanoic acid
CID 134621107
3-[4-(difluoromethoxy)-2-sulfanylphenyl]propanal
CID 118818662
3-[2-(difluoromethoxy)-5-methylphenyl]propanal
CID 118848434

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal?
The IUPAC name of 3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal (CID 134621112) is 3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal.
What is the SMILES notation for 3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal?
The canonical SMILES for 3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal is O=CCCc1cccc(O)c1OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal?
The InChIKey is HRDUVEVVKDNDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c11-10(12)15-9-7(4-2-6-13)3-1-5-8(9)14/h1,3,5-6,10,14H,2,4H2.
What are the key properties of 3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal?
3-[2-(difluoromethoxy)-3-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)-3-hydroxyphenyl]propanal is sourced from PubChem (CID 134621112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).