(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

C17H16F2O2 — CID 83044009

IUPAC(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2c(F)ccc(C)c2F)cc1C
InChIInChI=1S/C17H16F2O2/c1-9-5-6-13(18)14(15(9)19)16(20)12-7-10(2)17(21-4)11(3)8-12/h5-8H,1-4H3
InChIKeyBHILRIQZFMUPKP-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.13
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 83044009) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID83044009
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2c(F)ccc(C)c2F)cc1C
InChIInChI=1S/C17H16F2O2/c1-9-5-6-13(18)14(15(9)19)16(20)12-7-10(2)17(21-4)11(3)8-12/h5-8H,1-4H3
InChIKeyBHILRIQZFMUPKP-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057194
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
6-fluoro-2-methoxy-3-methylbenzoic acid
CID 84659421
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (CID 83044009) is (2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)c2c(F)ccc(C)c2F)cc1C.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is BHILRIQZFMUPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-9-5-6-13(18)14(15(9)19)16(20)12-7-10(2)17(21-4)11(3)8-12/h5-8H,1-4H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 290.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 83044009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).