(5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone

C13H15FO2 — CID 114970589

IUPAC(5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone
SMILESCc1ccc(F)cc1C(=O)C1OCCC1C
InChIInChI=1S/C13H15FO2/c1-8-3-4-10(14)7-11(8)12(15)13-9(2)5-6-16-13/h3-4,7,9,13H,5-6H2,1-2H3
InChIKeyPLKBWRLHHJIQKS-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.74
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone

(5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone (PubChem CID 114970589) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone
PubChem CID114970589
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name(5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone
SMILESCc1ccc(F)cc1C(=O)C1OCCC1C
InChIInChI=1S/C13H15FO2/c1-8-3-4-10(14)7-11(8)12(15)13-9(2)5-6-16-13/h3-4,7,9,13H,5-6H2,1-2H3
InChIKeyPLKBWRLHHJIQKS-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970634
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 103543669
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
CID 105095400
(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105095429
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone
CID 114970423
isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone
CID 114971893
(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709614
1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116586161
4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide
CID 113399934
(2-methylcyclopropyl)methyl 5-fluoro-2-methylbenzoate
CID 86889999
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
CID 112729639

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone (CID 114970589) is (5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone is Cc1ccc(F)cc1C(=O)C1OCCC1C.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone?
The InChIKey is PLKBWRLHHJIQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-8-3-4-10(14)7-11(8)12(15)13-9(2)5-6-16-13/h3-4,7,9,13H,5-6H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone?
(5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone has a molecular weight of 222.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone is sourced from PubChem (CID 114970589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).