1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione

C17H16O3 — CID 11747586

IUPAC1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
SMILESCCc1ccc(O)c(C(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C17H16O3/c1-2-12-8-9-15(18)14(10-12)17(20)11-16(19)13-6-4-3-5-7-13/h3-10,18H,2,11H2,1H3
InChIKeyMFZVHXVFJFZXBO-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.41
Rot. Bonds5

About 1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione

1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione (PubChem CID 11747586) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
PubChem CID11747586
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
SMILESCCc1ccc(O)c(C(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C17H16O3/c1-2-12-8-9-15(18)14(10-12)17(20)11-16(19)13-6-4-3-5-7-13/h3-10,18H,2,11H2,1H3
InChIKeyMFZVHXVFJFZXBO-UHFFFAOYSA-N
XLogP3.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
CID 10107801
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
5-ethyl-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 60611924
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
2-hydroxy-5-methyl-3-(3-oxo-3-phenylpropanoyl)benzoic acid
CID 102378890
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2-(3-benzoyl-4-hydroxyphenyl)acetic acid
CID 91883998
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
(2-acetyl-4-ethylphenyl) benzoate
CID 11832389
propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate
CID 139223343

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione (CID 11747586) is 1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione is CCc1ccc(O)c(C(=O)CC(=O)c2ccccc2)c1.
What is the InChIKey of 1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The InChIKey is MFZVHXVFJFZXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-12-8-9-15(18)14(10-12)17(20)11-16(19)13-6-4-3-5-7-13/h3-10,18H,2,11H2,1H3.
What are the key properties of 1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione has a molecular weight of 268.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 11747586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).