1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one

C14H18O3 — CID 115495368

IUPAC1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C14H18O3/c1-11(15)8-12-2-4-14(5-3-12)17-10-13-6-7-16-9-13/h2-5,13H,6-10H2,1H3
InChIKeyJQNVCOUKVNOWBW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.23
Rot. Bonds5

About 1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one

1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one (PubChem CID 115495368) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
PubChem CID115495368
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C14H18O3/c1-11(15)8-12-2-4-14(5-3-12)17-10-13-6-7-16-9-13/h2-5,13H,6-10H2,1H3
InChIKeyJQNVCOUKVNOWBW-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 61311099
2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide
CID 164513641
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495370
3-[(4-iodophenoxy)methyl]oxolane
CID 60772514
4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride
CID 166001005
(1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol
CID 78932077
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
2-chloro-5-(oxolan-3-ylmethoxy)benzoic acid
CID 106500594
1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine
CID 115495135
methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate
CID 19874542
1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473
6-methyl-2-[4-(oxolan-3-ylmethoxy)phenyl]pyridine-3-carboxylic acid
CID 167867751

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one?
The IUPAC name of 1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one (CID 115495368) is 1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one is CC(=O)Cc1ccc(OCC2CCOC2)cc1.
What is the InChIKey of 1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one?
The InChIKey is JQNVCOUKVNOWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-11(15)8-12-2-4-14(5-3-12)17-10-13-6-7-16-9-13/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one?
1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one is sourced from PubChem (CID 115495368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).