1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione

C20H18O5 — CID 10806921

IUPAC1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione
SMILESC=CCOc1ccccc1C(=O)CC(=O)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H18O5/c1-2-11-25-20-6-4-3-5-17(20)19(24)13-16(22)12-18(23)14-7-9-15(21)10-8-14/h2-10,21H,1,11-13H2
InChIKeyCDSFZLMRYCODSI-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.37
Rot. Bonds9

About 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione

1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione (PubChem CID 10806921) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione
PubChem CID10806921
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione
SMILESC=CCOc1ccccc1C(=O)CC(=O)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H18O5/c1-2-11-25-20-6-4-3-5-17(20)19(24)13-16(22)12-18(23)14-7-9-15(21)10-8-14/h2-10,21H,1,11-13H2
InChIKeyCDSFZLMRYCODSI-UHFFFAOYSA-N
XLogP3.37
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione 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

2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928960
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
CID 4928957
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
phenyl-(2-prop-2-enoxyphenyl)methanethione
CID 14227059
3,5-dichloro-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17133664

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione?
The IUPAC name of 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione (CID 10806921) is 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione is C=CCOc1ccccc1C(=O)CC(=O)CC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione?
The InChIKey is CDSFZLMRYCODSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-2-11-25-20-6-4-3-5-17(20)19(24)13-16(22)12-18(23)14-7-9-15(21)10-8-14/h2-10,21H,1,11-13H2.
What are the key properties of 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione?
1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione has a molecular weight of 338.36 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione is sourced from PubChem (CID 10806921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).