(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone

C17H17FO3 — CID 63209380

IUPAC(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(F)c(C)c2)cc1OC
InChIInChI=1S/C17H17FO3/c1-10-8-15(20-3)16(21-4)9-13(10)17(19)12-5-6-14(18)11(2)7-12/h5-9H,1-4H3
InChIKeyFGSMLMUKAFGVTR-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.69
Rot. Bonds4

About (4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone

(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 63209380) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID63209380
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(F)c(C)c2)cc1OC
InChIInChI=1S/C17H17FO3/c1-10-8-15(20-3)16(21-4)9-13(10)17(19)12-5-6-14(18)11(2)7-12/h5-9H,1-4H3
InChIKeyFGSMLMUKAFGVTR-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

(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797912
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
CID 43626586
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone (CID 63209380) is (4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone is COc1cc(C)c(C(=O)c2ccc(F)c(C)c2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is FGSMLMUKAFGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-10-8-15(20-3)16(21-4)9-13(10)17(19)12-5-6-14(18)11(2)7-12/h5-9H,1-4H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone?
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)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 (4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 63209380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).