1-(4-methoxyphenyl)-8-methylnonane-1,7-dione

C17H24O3 — CID 70230200

IUPAC1-(4-methoxyphenyl)-8-methylnonane-1,7-dione
SMILESCOc1ccc(C(=O)CCCCCC(=O)C(C)C)cc1
InChIInChI=1S/C17H24O3/c1-13(2)16(18)7-5-4-6-8-17(19)14-9-11-15(20-3)12-10-14/h9-13H,4-8H2,1-3H3
InChIKeyOFIFJONFTFXWSO-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.05
Rot. Bonds9

About 1-(4-methoxyphenyl)-8-methylnonane-1,7-dione

1-(4-methoxyphenyl)-8-methylnonane-1,7-dione (PubChem CID 70230200) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-8-methylnonane-1,7-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-8-methylnonane-1,7-dione
PubChem CID70230200
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-(4-methoxyphenyl)-8-methylnonane-1,7-dione
SMILESCOc1ccc(C(=O)CCCCCC(=O)C(C)C)cc1
InChIInChI=1S/C17H24O3/c1-13(2)16(18)7-5-4-6-8-17(19)14-9-11-15(20-3)12-10-14/h9-13H,4-8H2,1-3H3
InChIKeyOFIFJONFTFXWSO-UHFFFAOYSA-N
XLogP4.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-8-methylnonane-1,7-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

1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
6-(3-methoxyphenyl)-1-(4-methoxyphenyl)hexan-1-one
CID 164679633
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one
CID 15310595
7-imino-1-(4-methoxyphenyl)heptane-1,6-dione
CID 135225539
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-8-methylnonane-1,7-dione?
The IUPAC name of 1-(4-methoxyphenyl)-8-methylnonane-1,7-dione (CID 70230200) is 1-(4-methoxyphenyl)-8-methylnonane-1,7-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-8-methylnonane-1,7-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-8-methylnonane-1,7-dione is COc1ccc(C(=O)CCCCCC(=O)C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-8-methylnonane-1,7-dione?
The InChIKey is OFIFJONFTFXWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-13(2)16(18)7-5-4-6-8-17(19)14-9-11-15(20-3)12-10-14/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-8-methylnonane-1,7-dione?
1-(4-methoxyphenyl)-8-methylnonane-1,7-dione has a molecular weight of 276.38 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-8-methylnonane-1,7-dione is sourced from PubChem (CID 70230200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).