1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one

C19H21FO2 — CID 159779846

IUPAC1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one
SMILESCc1ccc(COc2ccc(C(=O)C(C)(C)C)cc2F)cc1
InChIInChI=1S/C19H21FO2/c1-13-5-7-14(8-6-13)12-22-17-10-9-15(11-16(17)20)18(21)19(2,3)4/h5-11H,12H2,1-4H3
InChIKeyYTENMKVYZUFOBH-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.94
Rot. Bonds4

About 1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one

1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one (PubChem CID 159779846) has the molecular formula C19H21FO2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one
PubChem CID159779846
Molecular FormulaC19H21FO2
Molecular Weight300.37 g/mol
Exact Mass300.15
IUPAC Name1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one
SMILESCc1ccc(COc2ccc(C(=O)C(C)(C)C)cc2F)cc1
InChIInChI=1S/C19H21FO2/c1-13-5-7-14(8-6-13)12-22-17-10-9-15(11-16(17)20)18(21)19(2,3)4/h5-11H,12H2,1-4H3
InChIKeyYTENMKVYZUFOBH-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one
CID 159779847
4-[[4-(2,2-dimethylpropanoyl)-2-fluorophenoxy]methyl]benzonitrile
CID 155087139
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
CID 146003862
3-bromo-4-[(4-methylphenyl)methoxy]benzoic acid
CID 8706873
2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 83951355
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
ethyl 2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 117486957
methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
CID 43259245
4-[(2-fluoro-4-propanoylphenoxy)methyl]benzonitrile
CID 155087147
N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 22314460

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one (CID 159779846) is 1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one is Cc1ccc(COc2ccc(C(=O)C(C)(C)C)cc2F)cc1.
What is the InChIKey of 1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is YTENMKVYZUFOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO2/c1-13-5-7-14(8-6-13)12-22-17-10-9-15(11-16(17)20)18(21)19(2,3)4/h5-11H,12H2,1-4H3.
What are the key properties of 1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one?
1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 300.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 159779846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).