2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone

C14H17ClO3 — CID 114968569

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)C1OCCC1C
InChIInChI=1S/C14H17ClO3/c1-9-5-6-18-14(9)12(16)8-10-7-11(15)3-4-13(10)17-2/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyHTDFZJZVNIIPGL-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.89
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone

2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone (PubChem CID 114968569) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone
PubChem CID114968569
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)C1OCCC1C
InChIInChI=1S/C14H17ClO3/c1-9-5-6-18-14(9)12(16)8-10-7-11(15)3-4-13(10)17-2/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyHTDFZJZVNIIPGL-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110767238
2-(5-chloro-2-methoxyphenyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103900213
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116603995
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148269
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94029080
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115844831
2-(5-chloro-2-methoxyphenyl)-N-cyclopentyloxyacetamide
CID 83202101
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
(Z)-3-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpent-2-enoic acid
CID 82092658
1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116576466

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone (CID 114968569) is 2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone is COc1ccc(Cl)cc1CC(=O)C1OCCC1C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone?
The InChIKey is HTDFZJZVNIIPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-9-5-6-18-14(9)12(16)8-10-7-11(15)3-4-13(10)17-2/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone?
2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone has a molecular weight of 268.74 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 114968569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).