2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one

C14H17ClO3 — CID 107138560

IUPAC2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)C1CCCOC1
InChIInChI=1S/C14H17ClO3/c1-10(14(16)11-4-3-7-17-9-11)18-13-6-2-5-12(15)8-13/h2,5-6,8,10-11H,3-4,7,9H2,1H3
InChIKeyPVPDHKXOQGHVCZ-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.10
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one

2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one (PubChem CID 107138560) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one
PubChem CID107138560
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)C1CCCOC1
InChIInChI=1S/C14H17ClO3/c1-10(14(16)11-4-3-7-17-9-11)18-13-6-2-5-12(15)8-13/h2,5-6,8,10-11H,3-4,7,9H2,1H3
InChIKeyPVPDHKXOQGHVCZ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-(oxan-3-yl)methanone
CID 65332391
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112815493
3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032691
(2,6-dichlorophenyl)-(oxan-3-yl)methanone
CID 107138536
2-(3-chlorophenoxy)-1-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one
CID 45189623
(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
CID 897565

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one (CID 107138560) is 2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one is CC(Oc1cccc(Cl)c1)C(=O)C1CCCOC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one?
The InChIKey is PVPDHKXOQGHVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-10(14(16)11-4-3-7-17-9-11)18-13-6-2-5-12(15)8-13/h2,5-6,8,10-11H,3-4,7,9H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one?
2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one has a molecular weight of 268.74 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one is sourced from PubChem (CID 107138560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).