1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione

C16H14O4 — CID 11414548

IUPAC1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
SMILESCOc1ccc(C(=O)CC(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H14O4/c1-20-12-7-8-13(15(18)9-12)16(19)10-14(17)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3
InChIKeyJZKDEMPGCWWFCP-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione

1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione (PubChem CID 11414548) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
PubChem CID11414548
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
SMILESCOc1ccc(C(=O)CC(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H14O4/c1-20-12-7-8-13(15(18)9-12)16(19)10-14(17)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3
InChIKeyJZKDEMPGCWWFCP-UHFFFAOYSA-N
XLogP2.86
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 175499515
CID 175499515
CID 172864174
CID 172864174
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805
5-methoxy-2-(1-phenylethenyl)phenol
CID 11064138
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride
CID 158222494
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
1-(3-fluorophenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione
CID 873956

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione (CID 11414548) is 1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione is COc1ccc(C(=O)CC(=O)c2ccccc2)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione?
The InChIKey is JZKDEMPGCWWFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-20-12-7-8-13(15(18)9-12)16(19)10-14(17)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3.
What are the key properties of 1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione?
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione has a molecular weight of 270.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 11414548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).