2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione

C21H26O3 — CID 165340548

IUPAC2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione
SMILESCOc1ccc2c(c1)CCCC2=CCC1(C(C)C)C(=O)CCC1=O
InChIInChI=1S/C21H26O3/c1-14(2)21(19(22)9-10-20(21)23)12-11-15-5-4-6-16-13-17(24-3)7-8-18(15)16/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3
InChIKeyWNDLLQPPZYZSEO-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.38
Rot. Bonds4

About 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione

2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione (PubChem CID 165340548) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione.

Molecular Properties

Compound Name2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione
PubChem CID165340548
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione
SMILESCOc1ccc2c(c1)CCCC2=CCC1(C(C)C)C(=O)CCC1=O
InChIInChI=1S/C21H26O3/c1-14(2)21(19(22)9-10-20(21)23)12-11-15-5-4-6-16-13-17(24-3)7-8-18(15)16/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3
InChIKeyWNDLLQPPZYZSEO-UHFFFAOYSA-N
XLogP4.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione 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 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione?
The IUPAC name of 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione (CID 165340548) is 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione.
What is the SMILES notation for 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione?
The canonical SMILES for 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione is COc1ccc2c(c1)CCCC2=CCC1(C(C)C)C(=O)CCC1=O.
What is the InChIKey of 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione?
The InChIKey is WNDLLQPPZYZSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-14(2)21(19(22)9-10-20(21)23)12-11-15-5-4-6-16-13-17(24-3)7-8-18(15)16/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione?
2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione has a molecular weight of 326.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione is sourced from PubChem (CID 165340548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).