(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone

C19H21FO — CID 66245563

IUPAC(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C19H21FO/c1-5-19(3,4)16-9-6-14(7-10-16)18(21)15-8-11-17(20)13(2)12-15/h6-12H,5H2,1-4H3
InChIKeySRYQFSQRNKSQNS-UHFFFAOYSA-N
MW284.37 g/mol
LogP5.05
Rot. Bonds4

About (4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone

(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone (PubChem CID 66245563) has the molecular formula C19H21FO and a molecular weight of 284.37 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
PubChem CID66245563
Molecular FormulaC19H21FO
Molecular Weight284.37 g/mol
Exact Mass284.16
IUPAC Name(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C19H21FO/c1-5-19(3,4)16-9-6-14(7-10-16)18(21)15-8-11-17(20)13(2)12-15/h6-12H,5H2,1-4H3
InChIKeySRYQFSQRNKSQNS-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 82870554
(4-fluoro-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 82081761
(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 81481916
(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
CID 62789749
1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
CID 19870051
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one
CID 79063038
2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone
CID 66245946
[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 115911568

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone (CID 66245563) is (4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone is CCC(C)(C)c1ccc(C(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The InChIKey is SRYQFSQRNKSQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO/c1-5-19(3,4)16-9-6-14(7-10-16)18(21)15-8-11-17(20)13(2)12-15/h6-12H,5H2,1-4H3.
What are the key properties of (4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone has a molecular weight of 284.37 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone is sourced from PubChem (CID 66245563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).