1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one

C10H10F2O3 — CID 118852546

IUPAC1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
SMILESCC(=O)Cc1cccc(O)c1OC(F)F
InChIInChI=1S/C10H10F2O3/c1-6(13)5-7-3-2-4-8(14)9(7)15-10(11)12/h2-4,10,14H,5H2,1H3
InChIKeyBJXNLWVHCRBCAI-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one

1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one (PubChem CID 118852546) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
PubChem CID118852546
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
SMILESCC(=O)Cc1cccc(O)c1OC(F)F
InChIInChI=1S/C10H10F2O3/c1-6(13)5-7-3-2-4-8(14)9(7)15-10(11)12/h2-4,10,14H,5H2,1H3
InChIKeyBJXNLWVHCRBCAI-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal
CID 134621112
2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid
CID 118826177
1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 131597712
2-(difluoromethoxy)-6-(2-oxopropyl)benzonitrile
CID 118808954
1-[2-(difluoromethoxy)-6-sulfanylphenyl]propan-2-one
CID 118830051
1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118835915
1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one
CID 118835704
1-chloro-3-[2-(difluoromethoxy)-3-sulfanylphenyl]propan-2-one
CID 170836598
1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one
CID 118818764
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
1-(5-methylnaphthalen-1-yl)propan-2-one
CID 59096635
1-[3-(chloromethyl)-2-methoxyphenyl]propan-2-one
CID 118843525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
The IUPAC name of 1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one (CID 118852546) is 1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
The canonical SMILES for 1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one is CC(=O)Cc1cccc(O)c1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
The InChIKey is BJXNLWVHCRBCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-6(13)5-7-3-2-4-8(14)9(7)15-10(11)12/h2-4,10,14H,5H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one has a molecular weight of 216.18 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one is sourced from PubChem (CID 118852546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).