(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

C17H17FO3 — CID 83044007

IUPAC(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)cc1F
InChIInChI=1S/C17H17FO3/c1-10-7-13(8-11(2)17(10)21-4)16(19)12-5-6-15(20-3)14(18)9-12/h5-9H,1-4H3
InChIKeyUNOSITWNDCGFAU-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.69
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 83044007) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID83044007
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)cc1F
InChIInChI=1S/C17H17FO3/c1-10-7-13(8-11(2)17(10)21-4)16(19)12-5-6-15(20-3)14(18)9-12/h5-9H,1-4H3
InChIKeyUNOSITWNDCGFAU-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62919038
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068741

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (CID 83044007) is (3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is UNOSITWNDCGFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-10-7-13(8-11(2)17(10)21-4)16(19)12-5-6-15(20-3)14(18)9-12/h5-9H,1-4H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 288.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 83044007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).