3-[(2-methoxyphenyl)methyl]oxolan-2-one

C12H14O3 — CID 12025278

IUPAC3-[(2-methoxyphenyl)methyl]oxolan-2-one
SMILESCOc1ccccc1CC1CCOC1=O
InChIInChI=1S/C12H14O3/c1-14-11-5-3-2-4-9(11)8-10-6-7-15-12(10)13/h2-5,10H,6-8H2,1H3
InChIKeyQWDSPKVLJAYPTH-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.80
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]oxolan-2-one

3-[(2-methoxyphenyl)methyl]oxolan-2-one (PubChem CID 12025278) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]oxolan-2-one
PubChem CID12025278
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-[(2-methoxyphenyl)methyl]oxolan-2-one
SMILESCOc1ccccc1CC1CCOC1=O
InChIInChI=1S/C12H14O3/c1-14-11-5-3-2-4-9(11)8-10-6-7-15-12(10)13/h2-5,10H,6-8H2,1H3
InChIKeyQWDSPKVLJAYPTH-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]oxolan-2-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]oxolan-2-one (CID 12025278) is 3-[(2-methoxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]oxolan-2-one is COc1ccccc1CC1CCOC1=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]oxolan-2-one?
The InChIKey is QWDSPKVLJAYPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-11-5-3-2-4-9(11)8-10-6-7-15-12(10)13/h2-5,10H,6-8H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]oxolan-2-one?
3-[(2-methoxyphenyl)methyl]oxolan-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 12025278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).