1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one

C14H17ClO3 — CID 43798313

IUPAC1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one
SMILESCC(OCC1CCCO1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClO3/c1-10(18-9-13-6-3-7-17-13)14(16)11-4-2-5-12(15)8-11/h2,4-5,8,10,13H,3,6-7,9H2,1H3
InChIKeyLLHKOJCHKIJLFM-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.11
Rot. Bonds5

About 1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one

1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one (PubChem CID 43798313) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one
PubChem CID43798313
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one
SMILESCC(OCC1CCCO1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClO3/c1-10(18-9-13-6-3-7-17-13)14(16)11-4-2-5-12(15)8-11/h2,4-5,8,10,13H,3,6-7,9H2,1H3
InChIKeyLLHKOJCHKIJLFM-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-(oxiran-2-ylmethoxy)propan-1-one
CID 57235151
(2R)-N-(3-chlorophenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269990
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570
1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798954
[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylate
CID 27920828
oxolan-2-ylmethyl 3-(3-chlorophenyl)but-2-enoate
CID 71861239
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798905
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
(2S)-N-(3-methylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269998

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one (CID 43798313) is 1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one is CC(OCC1CCCO1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one?
The InChIKey is LLHKOJCHKIJLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-10(18-9-13-6-3-7-17-13)14(16)11-4-2-5-12(15)8-11/h2,4-5,8,10,13H,3,6-7,9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one?
1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one has a molecular weight of 268.74 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one is sourced from PubChem (CID 43798313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).