(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone

C17H17FO4 — CID 146006913

IUPAC(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)cc(F)c2)cc(OC)c1OC
InChIInChI=1S/C17H17FO4/c1-10-5-11(7-13(18)6-10)16(19)12-8-14(20-2)17(22-4)15(9-12)21-3/h5-9H,1-4H3
InChIKeyODVGGBUEVAJXCI-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.39
Rot. Bonds5

About (3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone

(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 146006913) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID146006913
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)cc(F)c2)cc(OC)c1OC
InChIInChI=1S/C17H17FO4/c1-10-5-11(7-13(18)6-10)16(19)12-8-14(20-2)17(22-4)15(9-12)21-3/h5-9H,1-4H3
InChIKeyODVGGBUEVAJXCI-UHFFFAOYSA-N
XLogP3.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
(3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone
CID 172740515
[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone
CID 132559325
(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 151869443
(2,4,6-trimethylphenyl) 3,4,5-trimethoxybenzoate
CID 8915383
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115374080
(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115787659
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 146006913) is (3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(C)cc(F)c2)cc(OC)c1OC.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ODVGGBUEVAJXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-10-5-11(7-13(18)6-10)16(19)12-8-14(20-2)17(22-4)15(9-12)21-3/h5-9H,1-4H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 304.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 146006913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).