1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione

C24H20O4 — CID 68550038

IUPAC1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione
SMILESCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc3ccccc3c2)cc1O
InChIInChI=1S/C24H20O4/c1-28-24-13-9-18(15-23(24)27)8-12-22(26)16-21(25)11-7-17-6-10-19-4-2-3-5-20(19)14-17/h2-15,27H,16H2,1H3
InChIKeyAUPXURLNEOQIFK-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.81
Rot. Bonds7

About 1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione

1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione (PubChem CID 68550038) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione.

Molecular Properties

Compound Name1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione
PubChem CID68550038
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione
SMILESCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc3ccccc3c2)cc1O
InChIInChI=1S/C24H20O4/c1-28-24-13-9-18(15-23(24)27)8-12-22(26)16-21(25)11-7-17-6-10-19-4-2-3-5-20(19)14-17/h2-15,27H,16H2,1H3
InChIKeyAUPXURLNEOQIFK-UHFFFAOYSA-N
XLogP4.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenol
CID 11231216
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
1-(2,6-dimethoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553890
(1E,6E)-1-(2-hydroxy-6-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552536
(E)-5-(4-hydroxy-3-methoxyphenyl)-1-naphthalen-2-ylpent-4-ene-1,3-dione
CID 68817789
1-(4-fluoro-3-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553866
(1E,6E)-1-(2,3-dimethoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68547475
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione?
The IUPAC name of 1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione (CID 68550038) is 1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione.
What is the SMILES notation for 1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione?
The canonical SMILES for 1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione is COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc3ccccc3c2)cc1O.
What is the InChIKey of 1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione?
The InChIKey is AUPXURLNEOQIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c1-28-24-13-9-18(15-23(24)27)8-12-22(26)16-21(25)11-7-17-6-10-19-4-2-3-5-20(19)14-17/h2-15,27H,16H2,1H3.
What are the key properties of 1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione?
1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione has a molecular weight of 372.42 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione is sourced from PubChem (CID 68550038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).