1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone

C16H18O2 — CID 68551221

IUPAC1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone
SMILESCOc1ccc(C2=C(C)C(C)=CC2)c(C(C)=O)c1
InChIInChI=1S/C16H18O2/c1-10-5-7-14(11(10)2)15-8-6-13(18-4)9-16(15)12(3)17/h5-6,8-9H,7H2,1-4H3
InChIKeyWOOLNFVLTBCPSR-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.02
Rot. Bonds3

About 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone

1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone (PubChem CID 68551221) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone
PubChem CID68551221
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone
SMILESCOc1ccc(C2=C(C)C(C)=CC2)c(C(C)=O)c1
InChIInChI=1S/C16H18O2/c1-10-5-7-14(11(10)2)15-8-6-13(18-4)9-16(15)12(3)17/h5-6,8-9H,7H2,1-4H3
InChIKeyWOOLNFVLTBCPSR-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone (CID 68551221) is 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone is COc1ccc(C2=C(C)C(C)=CC2)c(C(C)=O)c1.
What is the InChIKey of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone?
The InChIKey is WOOLNFVLTBCPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-10-5-7-14(11(10)2)15-8-6-13(18-4)9-16(15)12(3)17/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone?
1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone has a molecular weight of 242.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone is sourced from PubChem (CID 68551221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).