4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one

C20H22F2O3 — CID 59760145

IUPAC4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1cc(F)c(OCc2ccccc2OC(C)C)c(F)c1
InChIInChI=1S/C20H22F2O3/c1-13(2)25-19-7-5-4-6-16(19)12-24-20-17(21)10-15(11-18(20)22)9-8-14(3)23/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKeyNZSZJOAJUYLKHK-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.85
Rot. Bonds8

About 4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one

4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one (PubChem CID 59760145) has the molecular formula C20H22F2O3 and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one
PubChem CID59760145
Molecular FormulaC20H22F2O3
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1cc(F)c(OCc2ccccc2OC(C)C)c(F)c1
InChIInChI=1S/C20H22F2O3/c1-13(2)25-19-7-5-4-6-16(19)12-24-20-17(21)10-15(11-18(20)22)9-8-14(3)23/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKeyNZSZJOAJUYLKHK-UHFFFAOYSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-fluoro-4-[[2-(4-propan-2-ylphenoxy)phenyl]methoxy]phenyl]propanoic acid
CID 23136502
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone
CID 115788644
ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate
CID 23136526
1-(methoxymethyl)-2-propan-2-yloxybenzene
CID 154665726
5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141305036
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
N-[[3,5-difluoro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882490
N-[(4-fluorophenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 124505025
ethyl 3-[3,5-difluoro-4-[[3-(2-methylpropoxy)phenyl]methoxy]phenyl]propanoate
CID 23136278

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one?
The IUPAC name of 4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one (CID 59760145) is 4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one is CC(=O)CCc1cc(F)c(OCc2ccccc2OC(C)C)c(F)c1.
What is the InChIKey of 4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one?
The InChIKey is NZSZJOAJUYLKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2O3/c1-13(2)25-19-7-5-4-6-16(19)12-24-20-17(21)10-15(11-18(20)22)9-8-14(3)23/h4-7,10-11,13H,8-9,12H2,1-3H3.
What are the key properties of 4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one?
4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one has a molecular weight of 348.39 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one is sourced from PubChem (CID 59760145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).