2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone

C14H17ClO2 — CID 106865766

IUPAC2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone
SMILESCc1ccc(CC(=O)C2CCOC2C)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-9-3-4-11(13(15)7-9)8-14(16)12-5-6-17-10(12)2/h3-4,7,10,12H,5-6,8H2,1-2H3
InChIKeyOLZQUAUXNCJFLV-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.19
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone

2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone (PubChem CID 106865766) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone
PubChem CID106865766
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone
SMILESCc1ccc(CC(=O)C2CCOC2C)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-9-3-4-11(13(15)7-9)8-14(16)12-5-6-17-10(12)2/h3-4,7,10,12H,5-6,8H2,1-2H3
InChIKeyOLZQUAUXNCJFLV-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 79759578
2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
CID 106865356
1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968400
2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039
1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 79758315
2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 106867043
2-(2-bromo-5-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 114973642
(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970867
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 106866070
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
CID 106867100
2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 106870913
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 106870915

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone (CID 106865766) is 2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone is Cc1ccc(CC(=O)C2CCOC2C)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone?
The InChIKey is OLZQUAUXNCJFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-9-3-4-11(13(15)7-9)8-14(16)12-5-6-17-10(12)2/h3-4,7,10,12H,5-6,8H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone?
2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone has a molecular weight of 252.74 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone is sourced from PubChem (CID 106865766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).