3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial

C23H18O5 — CID 143134506

IUPAC3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial
SMILESCOc1ccc(-c2ccc3cc(C(C(=O)C=O)C(=O)C=O)ccc3c2)cc1C
InChIInChI=1S/C23H18O5/c1-14-9-15(7-8-22(14)28-2)16-3-4-18-11-19(6-5-17(18)10-16)23(20(26)12-24)21(27)13-25/h3-13,23H,1-2H3
InChIKeyGBWKZNCMGAWOFT-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.44
Rot. Bonds7

About 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial

3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial (PubChem CID 143134506) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial.

Molecular Properties

Compound Name3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial
PubChem CID143134506
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial
SMILESCOc1ccc(-c2ccc3cc(C(C(=O)C=O)C(=O)C=O)ccc3c2)cc1C
InChIInChI=1S/C23H18O5/c1-14-9-15(7-8-22(14)28-2)16-3-4-18-11-19(6-5-17(18)10-16)23(20(26)12-24)21(27)13-25/h3-13,23H,1-2H3
InChIKeyGBWKZNCMGAWOFT-UHFFFAOYSA-N
XLogP3.44
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial 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

methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide
CID 11545898
2-(4-methoxy-3-methylphenyl)-2-oxoacetaldehyde
CID 83529774
(NE)-N-[[4-(4-methoxy-3-methylphenyl)phenyl]methylidene]hydroxylamine
CID 135329420
2-chloro-4-(4-methoxy-3-methylphenyl)phenol
CID 53221309
4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol
CID 159042728
[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone
CID 56970113
2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal
CID 145418893
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid
CID 165348046
2-(4-methoxy-3-methylphenyl)-4-methyl-3-oxopentanenitrile
CID 82115822
2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 55039856

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial?
The IUPAC name of 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial (CID 143134506) is 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial.
What is the SMILES notation for 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial?
The canonical SMILES for 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial is COc1ccc(-c2ccc3cc(C(C(=O)C=O)C(=O)C=O)ccc3c2)cc1C.
What is the InChIKey of 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial?
The InChIKey is GBWKZNCMGAWOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O5/c1-14-9-15(7-8-22(14)28-2)16-3-4-18-11-19(6-5-17(18)10-16)23(20(26)12-24)21(27)13-25/h3-13,23H,1-2H3.
What are the key properties of 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial?
3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial has a molecular weight of 374.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial is sourced from PubChem (CID 143134506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).