(4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone

C12H13FO2 — CID 65330614

IUPAC(4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone
SMILESCc1cc(F)ccc1C(=O)C1CCOC1
InChIInChI=1S/C12H13FO2/c1-8-6-10(13)2-3-11(8)12(14)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3
InChIKeyRSOUCNUTOGVNGA-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.35
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone

(4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone (PubChem CID 65330614) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone
PubChem CID65330614
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name(4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone
SMILESCc1cc(F)ccc1C(=O)C1CCOC1
InChIInChI=1S/C12H13FO2/c1-8-6-10(13)2-3-11(8)12(14)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3
InChIKeyRSOUCNUTOGVNGA-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
2,3-dihydro-1H-inden-2-yl-(4-fluoro-2-methylphenyl)methanone
CID 65406838
(4-fluoro-2,6-dimethylphenyl)-(oxan-3-yl)methanone
CID 106876876
tert-butyl 3-(4-fluoro-2-methylbenzoyl)morpholine-4-carboxylate
CID 103554020
(2-bromo-3,4-difluorophenyl)-(oxolan-3-yl)methanone
CID 107538180
(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone
CID 114972047
(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone
CID 106880808
(4-fluoro-2-methylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945077
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
(3-fluoro-4-methylphenyl)-(oxan-3-yl)methanone
CID 107128324
(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 116580026
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone (CID 65330614) is (4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone is Cc1cc(F)ccc1C(=O)C1CCOC1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone?
The InChIKey is RSOUCNUTOGVNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-8-6-10(13)2-3-11(8)12(14)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone?
(4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone has a molecular weight of 208.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 65330614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).