2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione

C15H20O3 — CID 5314499

IUPAC2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESCOC1=CC(=O)C2CC=C(C(C)C)CC2(C)C1=O
InChIInChI=1S/C15H20O3/c1-9(2)10-5-6-11-12(16)7-13(18-4)14(17)15(11,3)8-10/h5,7,9,11H,6,8H2,1-4H3
InChIKeyFEWKGQSGEFEQSS-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.67
Rot. Bonds2

About 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione

2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione (PubChem CID 5314499) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione.

Molecular Properties

Compound Name2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione
PubChem CID5314499
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESCOC1=CC(=O)C2CC=C(C(C)C)CC2(C)C1=O
InChIInChI=1S/C15H20O3/c1-9(2)10-5-6-11-12(16)7-13(18-4)14(17)15(11,3)8-10/h5,7,9,11H,6,8H2,1-4H3
InChIKeyFEWKGQSGEFEQSS-UHFFFAOYSA-N
XLogP2.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione 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

2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 11724957
Delta8-THCQ
CID 11370880
(6R,7R)-7-ethenyl-2,3-dimethoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalene-1,4-dione
CID 637396
5-Ethenyl-5,6,7,8-tetrahydro-2,3-dimethoxy-5-methyl-8-(1-methylethenyl)-1,4-naphthalenedione
CID 135906
2-Hydroxy-5-methoxy-3-((1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decahydro-naphthalen-1-ylmethyl)-[1,4]benzoquinone
CID 91935541
Heliotropinone A
CID 10402654
2,3-Dimethoxy-10a-methyl-8-methylene-5,6,7,8a,9,10-hexahydroanthracene-1,4-dione
CID 10447644
21-Dehydroxybolinaquinone
CID 25211684
(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,4-dione
CID 10613356
2-Methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione
CID 11609092
(6S,7R)-7-ethenyl-2-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalene-1,4-dione
CID 162911881
(8aR,10aS)-2,3-dimethoxy-10a-methyl-8-methylidene-5,6,7,8a,9,10-hexahydroanthracene-1,4-dione
CID 162971426

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The IUPAC name of 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione (CID 5314499) is 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione.
What is the SMILES notation for 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The canonical SMILES for 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione is COC1=CC(=O)C2CC=C(C(C)C)CC2(C)C1=O.
What is the InChIKey of 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The InChIKey is FEWKGQSGEFEQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9(2)10-5-6-11-12(16)7-13(18-4)14(17)15(11,3)8-10/h5,7,9,11H,6,8H2,1-4H3.
What are the key properties of 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione?
2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione has a molecular weight of 248.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione is sourced from PubChem (CID 5314499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).