1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one

C11H12F2O3 — CID 134628763

IUPAC1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
SMILESCCC(=O)c1cc(OC(F)F)ccc1OC
InChIInChI=1S/C11H12F2O3/c1-3-9(14)8-6-7(16-11(12)13)4-5-10(8)15-2/h4-6,11H,3H2,1-2H3
InChIKeyHWAAHIQWXUIZKR-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.89
Rot. Bonds5

About 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one

1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one (PubChem CID 134628763) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
PubChem CID134628763
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
SMILESCCC(=O)c1cc(OC(F)F)ccc1OC
InChIInChI=1S/C11H12F2O3/c1-3-9(14)8-6-7(16-11(12)13)4-5-10(8)15-2/h4-6,11H,3H2,1-2H3
InChIKeyHWAAHIQWXUIZKR-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
CID 82267817
1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one
CID 118809490
1-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-one
CID 118807482
1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 118808993
1-(2-fluoro-5-methoxyphenyl)propan-1-one
CID 71322080
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18128266
3-bromo-1-(5-ethoxy-2-methoxyphenyl)propan-1-one
CID 134625052
1-(2,5-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480661
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one
CID 118841301
(E)-3-[4-(difluoromethoxy)-3-propanoylphenyl]prop-2-enoic acid
CID 118817522

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one?
The IUPAC name of 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one (CID 134628763) is 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one.
What is the SMILES notation for 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one?
The canonical SMILES for 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one is CCC(=O)c1cc(OC(F)F)ccc1OC.
What is the InChIKey of 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one?
The InChIKey is HWAAHIQWXUIZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-3-9(14)8-6-7(16-11(12)13)4-5-10(8)15-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one?
1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one has a molecular weight of 230.21 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one is sourced from PubChem (CID 134628763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).