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

C16H15FO3 — CID 43337370

IUPAC(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H15FO3/c1-10-4-5-11(8-14(10)17)16(18)13-9-12(19-2)6-7-15(13)20-3/h4-9H,1-3H3
InChIKeyGKNQCKSQULAYHJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.38
Rot. Bonds4

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

(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 43337370) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID43337370
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H15FO3/c1-10-4-5-11(8-14(10)17)16(18)13-9-12(19-2)6-7-15(13)20-3/h4-9H,1-3H3
InChIKeyGKNQCKSQULAYHJ-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(3-fluoro-4-methoxyphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790442
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
CID 43337349
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone (CID 43337370) is (2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone is COc1ccc(OC)c(C(=O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is GKNQCKSQULAYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10-4-5-11(8-14(10)17)16(18)13-9-12(19-2)6-7-15(13)20-3/h4-9H,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone?
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 274.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 43337370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).