1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione

C19H26O4 — CID 75081697

IUPAC1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione
SMILESCCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1
InChIInChI=1S/C19H26O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h9-13,22H,3-8,14H2,1-2H3
InChIKeyQOJHXMDTWFYFRL-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.30
Rot. Bonds11

About 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione

1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione (PubChem CID 75081697) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione
PubChem CID75081697
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione
SMILESCCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1
InChIInChI=1S/C19H26O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h9-13,22H,3-8,14H2,1-2H3
InChIKeyQOJHXMDTWFYFRL-UHFFFAOYSA-N
XLogP4.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-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

(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)hexadeca-1,3-dien-5-one
CID 86251922
(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(3-methoxy-4-pentoxyphenyl)hepta-1,6-diene-3,5-dione
CID 46946665
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;gold(1+);pentane
CID 174922964
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;1-phenylheptylbenzene
CID 175027137
(E)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-1-en-5-one
CID 11462190
CID 174827534
CID 174827534
[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 67302613
1-(3-ethoxy-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67010274
[4-[(1E,6E)-7-(4-hexadecanoyloxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] hexadecanoate
CID 10079252

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione (CID 75081697) is 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione is CCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione?
The InChIKey is QOJHXMDTWFYFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h9-13,22H,3-8,14H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione?
1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione has a molecular weight of 318.41 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione is sourced from PubChem (CID 75081697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).