1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione

C21H18O3 — CID 14529191

IUPAC1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H18O3/c1-24-17-11-9-16(10-12-17)20(22)13-14-21(23)19-8-4-6-15-5-2-3-7-18(15)19/h2-12H,13-14H2,1H3
InChIKeyBDRVXGVQFAZOBW-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.69
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione

1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione (PubChem CID 14529191) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
PubChem CID14529191
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H18O3/c1-24-17-11-9-16(10-12-17)20(22)13-14-21(23)19-8-4-6-15-5-2-3-7-18(15)19/h2-12H,13-14H2,1H3
InChIKeyBDRVXGVQFAZOBW-UHFFFAOYSA-N
XLogP4.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-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

1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
CID 113236326
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
4-methoxy-1-naphthalen-1-ylpentan-1-one
CID 105094486
1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
CID 56956967
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
1-naphthalen-1-yl-3-phenoxypropan-1-one
CID 62717239
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747
4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid
CID 19782206

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione?
The IUPAC name of 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione (CID 14529191) is 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione is COc1ccc(C(=O)CCC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione?
The InChIKey is BDRVXGVQFAZOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-24-17-11-9-16(10-12-17)20(22)13-14-21(23)19-8-4-6-15-5-2-3-7-18(15)19/h2-12H,13-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione?
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione has a molecular weight of 318.37 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione is sourced from PubChem (CID 14529191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).