2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone

C14H17ClO2 — CID 106865356

IUPAC2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
SMILESCc1ccc(CC(=O)C2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-10-2-3-12(13(15)8-10)9-14(16)11-4-6-17-7-5-11/h2-3,8,11H,4-7,9H2,1H3
InChIKeyVHDXODUJEUOBLS-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.19
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone

2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone (PubChem CID 106865356) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
PubChem CID106865356
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
SMILESCc1ccc(CC(=O)C2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-10-2-3-12(13(15)8-10)9-14(16)11-4-6-17-7-5-11/h2-3,8,11H,4-7,9H2,1H3
InChIKeyVHDXODUJEUOBLS-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-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 106865766
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
CID 106867100
2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 82802592
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039
2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
CID 62906043
2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 106867043
2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 112653344
[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 106868666
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 106865472

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone (CID 106865356) is 2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone is Cc1ccc(CC(=O)C2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone?
The InChIKey is VHDXODUJEUOBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-10-2-3-12(13(15)8-10)9-14(16)11-4-6-17-7-5-11/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone?
2-(2-chloro-4-methylphenyl)-1-(oxan-4-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-(oxan-4-yl)ethanone is sourced from PubChem (CID 106865356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).