3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one

C17H16F2O3 — CID 146168049

IUPAC3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)CC(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C17H16F2O3/c1-21-16-9-13(14(20)10-17(18)19)7-8-15(16)22-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyKQFRTQRMZNFYHS-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.11
Rot. Bonds7

About 3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one

3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one (PubChem CID 146168049) has the molecular formula C17H16F2O3 and a molecular weight of 306.31 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
PubChem CID146168049
Molecular FormulaC17H16F2O3
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)CC(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C17H16F2O3/c1-21-16-9-13(14(20)10-17(18)19)7-8-15(16)22-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyKQFRTQRMZNFYHS-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate
CID 102243693
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
dimethyl (2R,3S)-2,3-bis(3-methoxy-4-phenylmethoxybenzoyl)butanedioate
CID 11050415
1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 4049023
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-(3-methoxy-4-phenylmethoxyphenyl)ethanone
CID 171379453
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
3-methoxy-4-phenylmethoxybenzenecarbothioamide
CID 7745260

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one (CID 146168049) is 3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one is COc1cc(C(=O)CC(F)F)ccc1OCc1ccccc1.
What is the InChIKey of 3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one?
The InChIKey is KQFRTQRMZNFYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3/c1-21-16-9-13(14(20)10-17(18)19)7-8-15(16)22-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3.
What are the key properties of 3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one?
3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one has a molecular weight of 306.31 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 146168049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).