(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone

C14H14FNO2 — CID 67575174

IUPAC(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)c(C)n2C)cc1
InChIInChI=1S/C14H14FNO2/c1-9-12(15)8-13(16(9)2)14(17)10-4-6-11(18-3)7-5-10/h4-8H,1-3H3
InChIKeyGRZVWBBQOXTFQG-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.71
Rot. Bonds3

About (4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone

(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 67575174) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone
PubChem CID67575174
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)c(C)n2C)cc1
InChIInChI=1S/C14H14FNO2/c1-9-12(15)8-13(16(9)2)14(17)10-4-6-11(18-3)7-5-10/h4-8H,1-3H3
InChIKeyGRZVWBBQOXTFQG-UHFFFAOYSA-N
XLogP2.71
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
2-[5-[4-(4-methoxyphenyl)benzoyl]-1-methylpyrrol-2-yl]acetic acid
CID 54131688
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
[4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium
CID 157190670
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone
CID 19973184
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone (CID 67575174) is (4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(F)c(C)n2C)cc1.
What is the InChIKey of (4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is GRZVWBBQOXTFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-12(15)8-13(16(9)2)14(17)10-4-6-11(18-3)7-5-10/h4-8H,1-3H3.
What are the key properties of (4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone?
(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 247.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 67575174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).