3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one

C19H18O4 — CID 91901557

IUPAC3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
SMILESCC(C)COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1
InChIInChI=1S/C19H18O4/c1-12(2)11-22-14-9-7-13(8-10-14)19-18(21)17(20)15-5-3-4-6-16(15)23-19/h3-10,12,21H,11H2,1-2H3
InChIKeySWEHFZSTKFUIGG-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.20
Rot. Bonds4

About 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one

3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one (PubChem CID 91901557) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
PubChem CID91901557
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
SMILESCC(C)COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1
InChIInChI=1S/C19H18O4/c1-12(2)11-22-14-9-7-13(8-10-14)19-18(21)17(20)15-5-3-4-6-16(15)23-19/h3-10,12,21H,11H2,1-2H3
InChIKeySWEHFZSTKFUIGG-UHFFFAOYSA-N
XLogP4.20
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one 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

3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3-hydroxy-2-(hydroxymethyl)-N-[2-[4-(3-hydroxy-4-oxochromen-2-yl)phenoxy]ethyl]-2-methylpropanamide
CID 122367694
2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
CID 66573994
3-hydroxy-2-naphthalen-2-ylchromen-4-one
CID 10085495
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one
CID 15710672
carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate
CID 46933843
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-methylchromen-4-one
CID 3033107
magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one
CID 19939019
3-hydroxy-7-(4-methylpentan-2-yl)-2-phenylchromen-4-one
CID 167062860
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
ethyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]propanoate
CID 57338478

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one?
The IUPAC name of 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one (CID 91901557) is 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one?
The canonical SMILES for 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one is CC(C)COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1.
What is the InChIKey of 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one?
The InChIKey is SWEHFZSTKFUIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-12(2)11-22-14-9-7-13(8-10-14)19-18(21)17(20)15-5-3-4-6-16(15)23-19/h3-10,12,21H,11H2,1-2H3.
What are the key properties of 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one?
3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one has a molecular weight of 310.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one is sourced from PubChem (CID 91901557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).