(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone

C13H15ClO3 — CID 79759516

IUPAC(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CCOC2C)cc1Cl
InChIInChI=1S/C13H15ClO3/c1-8-10(5-6-17-8)13(15)9-3-4-12(16-2)11(14)7-9/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyZVYJSVABPROFID-UHFFFAOYSA-N
MW254.71 g/mol
LogP2.96
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone

(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone (PubChem CID 79759516) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
PubChem CID79759516
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CCOC2C)cc1Cl
InChIInChI=1S/C13H15ClO3/c1-8-10(5-6-17-8)13(15)9-3-4-12(16-2)11(14)7-9/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyZVYJSVABPROFID-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176355
1-(3-chloro-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752386
(3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154431
(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758215
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759374
(4-iodophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758034
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546
(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 115792913
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126417
(2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone
CID 79760181
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228414

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone (CID 79759516) is (3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone is COc1ccc(C(=O)C2CCOC2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is ZVYJSVABPROFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-8-10(5-6-17-8)13(15)9-3-4-12(16-2)11(14)7-9/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone?
(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 254.71 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79759516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).