2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone

C13H15ClO2 — CID 62906043

IUPAC2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C13H15ClO2/c14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11/h1-3,8,11H,4-7,9H2
InChIKeySDXLVXIVTUQZNB-UHFFFAOYSA-N
MW238.71 g/mol
LogP2.88
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone

2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone (PubChem CID 62906043) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
PubChem CID62906043
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C13H15ClO2/c14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11/h1-3,8,11H,4-7,9H2
InChIKeySDXLVXIVTUQZNB-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105078111
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 82802592
(Z)-4-(3-chlorophenyl)-3-cyclopropylbut-2-enoic acid
CID 82083749
2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 112653344
2-(3-chlorophenyl)-1-morpholin-2-ylethanone
CID 116561676
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439
2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077716
2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
CID 106865356
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone (CID 62906043) is 2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone is O=C(Cc1cccc(Cl)c1)C1CCOCC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone?
The InChIKey is SDXLVXIVTUQZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11/h1-3,8,11H,4-7,9H2.
What are the key properties of 2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone?
2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone has a molecular weight of 238.71 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone is sourced from PubChem (CID 62906043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).