1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one

C10H10F2O3 — CID 118835915

IUPAC1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OC(F)F)c(O)c1
InChIInChI=1S/C10H10F2O3/c1-6(13)4-7-2-3-9(8(14)5-7)15-10(11)12/h2-3,5,10,14H,4H2,1H3
InChIKeyRGXDXWXJNXQVBP-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.13
Rot. Bonds4

About 1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one

1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one (PubChem CID 118835915) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
PubChem CID118835915
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OC(F)F)c(O)c1
InChIInChI=1S/C10H10F2O3/c1-6(13)4-7-2-3-9(8(14)5-7)15-10(11)12/h2-3,5,10,14H,4H2,1H3
InChIKeyRGXDXWXJNXQVBP-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

2-[2-(difluoromethoxy)-5-(2-oxopropyl)phenyl]acetic acid
CID 118809070
(E)-3-[2-(difluoromethoxy)-4-(2-oxopropyl)phenyl]prop-2-enoic acid
CID 118820311
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
1-[3-hydroxy-4-(methoxymethoxy)phenyl]propan-2-one
CID 154190128
ethyl 3-[4-(difluoromethoxy)-3-hydroxyphenyl]propanoate
CID 134632626
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 137454022
4-(difluoromethoxy)-3-hydroxybenzoic acid
CID 59224129
1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
CID 134616422
ethyl 4-(difluoromethoxy)-3-hydroxybenzoate
CID 125496568
4-(difluoromethoxy)-3-(2-oxopropyl)benzaldehyde
CID 118801726
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
The IUPAC name of 1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one (CID 118835915) is 1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one is CC(=O)Cc1ccc(OC(F)F)c(O)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
The InChIKey is RGXDXWXJNXQVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-6(13)4-7-2-3-9(8(14)5-7)15-10(11)12/h2-3,5,10,14H,4H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
1-[4-(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-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one is sourced from PubChem (CID 118835915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).