1,9-bis(4-methoxyphenyl)nonane-1,9-dione

C23H28O4 — CID 3499009

IUPAC1,9-bis(4-methoxyphenyl)nonane-1,9-dione
SMILESCOc1ccc(C(=O)CCCCCCCC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H28O4/c1-26-20-14-10-18(11-15-20)22(24)8-6-4-3-5-7-9-23(25)19-12-16-21(27-2)17-13-19/h10-17H,3-9H2,1-2H3
InChIKeyLHJGIELKBCLXNG-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.50
Rot. Bonds12

About 1,9-bis(4-methoxyphenyl)nonane-1,9-dione

1,9-bis(4-methoxyphenyl)nonane-1,9-dione (PubChem CID 3499009) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 1,9-bis(4-methoxyphenyl)nonane-1,9-dione.

Molecular Properties

Compound Name1,9-bis(4-methoxyphenyl)nonane-1,9-dione
PubChem CID3499009
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name1,9-bis(4-methoxyphenyl)nonane-1,9-dione
SMILESCOc1ccc(C(=O)CCCCCCCC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H28O4/c1-26-20-14-10-18(11-15-20)22(24)8-6-4-3-5-7-9-23(25)19-12-16-21(27-2)17-13-19/h10-17H,3-9H2,1-2H3
InChIKeyLHJGIELKBCLXNG-UHFFFAOYSA-N
XLogP5.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-methoxyphenyl)-8-methylnonane-1,7-dione
CID 70230200
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
7-imino-1-(4-methoxyphenyl)heptane-1,6-dione
CID 135225539
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-[4-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622
3-butoxy-1-(4-methoxyphenyl)propan-1-one
CID 115002247
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882

Frequently Asked Questions

What is the IUPAC name of 1,9-bis(4-methoxyphenyl)nonane-1,9-dione?
The IUPAC name of 1,9-bis(4-methoxyphenyl)nonane-1,9-dione (CID 3499009) is 1,9-bis(4-methoxyphenyl)nonane-1,9-dione.
What is the SMILES notation for 1,9-bis(4-methoxyphenyl)nonane-1,9-dione?
The canonical SMILES for 1,9-bis(4-methoxyphenyl)nonane-1,9-dione is COc1ccc(C(=O)CCCCCCCC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,9-bis(4-methoxyphenyl)nonane-1,9-dione?
The InChIKey is LHJGIELKBCLXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-26-20-14-10-18(11-15-20)22(24)8-6-4-3-5-7-9-23(25)19-12-16-21(27-2)17-13-19/h10-17H,3-9H2,1-2H3.
What are the key properties of 1,9-bis(4-methoxyphenyl)nonane-1,9-dione?
1,9-bis(4-methoxyphenyl)nonane-1,9-dione has a molecular weight of 368.47 g/mol, XLogP of 5.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(4-methoxyphenyl)nonane-1,9-dione is sourced from PubChem (CID 3499009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).