6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione

C19H20O4 — CID 24788998

IUPAC6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione
SMILESCOc1cc(CCC(=O)CC(=O)Cc2ccccc2)ccc1O
InChIInChI=1S/C19H20O4/c1-23-19-12-15(8-10-18(19)22)7-9-16(20)13-17(21)11-14-5-3-2-4-6-14/h2-6,8,10,12,22H,7,9,11,13H2,1H3
InChIKeyADKSUZXPMYEAON-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.10
Rot. Bonds8

About 6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione

6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione (PubChem CID 24788998) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione.

Molecular Properties

Compound Name6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione
PubChem CID24788998
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione
SMILESCOc1cc(CCC(=O)CC(=O)Cc2ccccc2)ccc1O
InChIInChI=1S/C19H20O4/c1-23-19-12-15(8-10-18(19)22)7-9-16(20)13-17(21)11-14-5-3-2-4-6-14/h2-6,8,10,12,22H,7,9,11,13H2,1H3
InChIKeyADKSUZXPMYEAON-UHFFFAOYSA-N
XLogP3.10
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.10
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

7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-1-ene-3,5-dione
CID 91231886
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
CID 175936648
CID 175936648
(9R)-1-(4-hydroxy-3-methoxyphenyl)-11-(3-hydroxyphenyl)-9-[(3-hydroxyphenyl)methyl]undecane-3,5-dione
CID 163099034
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
1-(3-chloro-2-methylphenyl)-5-(4-hydroxy-3-methoxyphenyl)pentane-1,3-dione
CID 24788937
7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
CID 45276919
3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one
CID 11989799
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione?
The IUPAC name of 6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione (CID 24788998) is 6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione.
What is the SMILES notation for 6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione?
The canonical SMILES for 6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione is COc1cc(CCC(=O)CC(=O)Cc2ccccc2)ccc1O.
What is the InChIKey of 6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione?
The InChIKey is ADKSUZXPMYEAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-23-19-12-15(8-10-18(19)22)7-9-16(20)13-17(21)11-14-5-3-2-4-6-14/h2-6,8,10,12,22H,7,9,11,13H2,1H3.
What are the key properties of 6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione?
6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione has a molecular weight of 312.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione is sourced from PubChem (CID 24788998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).