4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one

C14H18O4 — CID 78118083

IUPAC4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one
SMILESCCOc1cc(CC2COC(=O)C2)ccc1OC
InChIInChI=1S/C14H18O4/c1-3-17-13-7-10(4-5-12(13)16-2)6-11-8-14(15)18-9-11/h4-5,7,11H,3,6,8-9H2,1-2H3
InChIKeyWQOVREYSNGLFDV-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.20
Rot. Bonds5

About 4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one

4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one (PubChem CID 78118083) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one
PubChem CID78118083
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one
SMILESCCOc1cc(CC2COC(=O)C2)ccc1OC
InChIInChI=1S/C14H18O4/c1-3-17-13-7-10(4-5-12(13)16-2)6-11-8-14(15)18-9-11/h4-5,7,11H,3,6,8-9H2,1-2H3
InChIKeyWQOVREYSNGLFDV-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158061300
(4R)-4-[(3,4-dimethylphenyl)methyl]oxolan-2-one
CID 156831064
(4R)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
CID 10966911
(3R,4R)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxolan-2-one
CID 71575250
(4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one
CID 71574868
5,6,7-triethoxy-3-[(4-ethoxy-3-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 155755683
4-[(3-aminophenyl)methyl]oxolan-2-one
CID 174980378
(3S,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
CID 10993417
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 167490981
(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184614
(3aR,7aR)-2-[(3-ethoxy-4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 96564616

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one?
The IUPAC name of 4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one (CID 78118083) is 4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for 4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for 4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one is CCOc1cc(CC2COC(=O)C2)ccc1OC.
What is the InChIKey of 4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one?
The InChIKey is WQOVREYSNGLFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-17-13-7-10(4-5-12(13)16-2)6-11-8-14(15)18-9-11/h4-5,7,11H,3,6,8-9H2,1-2H3.
What are the key properties of 4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one?
4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one has a molecular weight of 250.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-4-methoxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 78118083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).