(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

C18H25FO — CID 106877039

IUPAC(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCc1cc(F)cc(C)c1C(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H25FO/c1-12(2)11-18(7-5-6-8-18)17(20)16-13(3)9-15(19)10-14(16)4/h9-10,12H,5-8,11H2,1-4H3
InChIKeyBDGZWJCUXGXVRJ-UHFFFAOYSA-N
MW276.40 g/mol
LogP5.23
Rot. Bonds4

About (4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 106877039) has the molecular formula C18H25FO and a molecular weight of 276.40 g/mol. Its IUPAC name is (4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID106877039
Molecular FormulaC18H25FO
Molecular Weight276.40 g/mol
Exact Mass276.19
IUPAC Name(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCc1cc(F)cc(C)c1C(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H25FO/c1-12(2)11-18(7-5-6-8-18)17(20)16-13(3)9-15(19)10-14(16)4/h9-10,12H,5-8,11H2,1-4H3
InChIKeyBDGZWJCUXGXVRJ-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Celestolide
CID 61585
Tonalide
CID 89440
Ethanone, 1-(2,4,6-trimethylphenyl)-
CID 15461
7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralin
CID 6930
Phantolide
CID 47167
Traseolide
CID 50256
4'-tert-Butyl-2',6'-dimethylacetophenone
CID 74879
1-(2-(Propan-2-yl)phenyl)ethan-1-one
CID 16504
2,3,3-Trimethylindanone
CID 10149036
Ethanone, 1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]-
CID 91696
3'-tert-Butyl-2,2,2-trifluoroacetophenone
CID 9859434
1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-
CID 10039317

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of (4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (CID 106877039) is (4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for (4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for (4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is Cc1cc(F)cc(C)c1C(=O)C1(CC(C)C)CCCC1.
What is the InChIKey of (4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is BDGZWJCUXGXVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO/c1-12(2)11-18(7-5-6-8-18)17(20)16-13(3)9-15(19)10-14(16)4/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of (4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 276.40 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 106877039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).