1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one

C15H20O3 — CID 103134352

IUPAC1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCC1CCC(C)O1
InChIInChI=1S/C15H20O3/c1-3-14(16)13-6-4-5-7-15(13)17-10-12-9-8-11(2)18-12/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyILDRVGCIUQNVEP-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one

1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one (PubChem CID 103134352) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
PubChem CID103134352
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCC1CCC(C)O1
InChIInChI=1S/C15H20O3/c1-3-14(16)13-6-4-5-7-15(13)17-10-12-9-8-11(2)18-12/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyILDRVGCIUQNVEP-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
1-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]phenyl]propan-1-one
CID 7394000
5-bromo-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 103134531
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
CID 7380349
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]phenyl]propan-1-one
CID 7380348
5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 103132673
1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 60921638
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 103132821
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one (CID 103134352) is 1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccccc1OCC1CCC(C)O1.
What is the InChIKey of 1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one?
The InChIKey is ILDRVGCIUQNVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-14(16)13-6-4-5-7-15(13)17-10-12-9-8-11(2)18-12/h4-7,11-12H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one?
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one has a molecular weight of 248.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 103134352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).