1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one

C15H16O3 — CID 134966434

IUPAC1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESCC12CC(OCc3ccccc3)C(C=CC1=O)O2
InChIInChI=1S/C15H16O3/c1-15-9-13(12(18-15)7-8-14(15)16)17-10-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3
InChIKeyADOGEUNQMLJXNP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.26
Rot. Bonds3

About 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one

1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 134966434) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
PubChem CID134966434
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESCC12CC(OCc3ccccc3)C(C=CC1=O)O2
InChIInChI=1S/C15H16O3/c1-15-9-13(12(18-15)7-8-14(15)16)17-10-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3
InChIKeyADOGEUNQMLJXNP-UHFFFAOYSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5S,7aR)-2,2-dimethyl-4,5,7-tris(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 71094798
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14163116
(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one
CID 101357836
(1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane
CID 10966767
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(1R,2S,5R)-1,5-dimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 101362915
5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 172801831
(1S,2R,5S)-1,5-dimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11032569
(1R,2S,3S,7R,8S,9R)-11,11-dimethyl-2,8-bis(phenylmethoxy)-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-5-thione
CID 10623070
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one (CID 134966434) is 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one is CC12CC(OCc3ccccc3)C(C=CC1=O)O2.
What is the InChIKey of 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is ADOGEUNQMLJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-15-9-13(12(18-15)7-8-14(15)16)17-10-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3.
What are the key properties of 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one?
1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenylmethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 134966434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).