3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one

C20H20O3 — CID 168878132

IUPAC3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one
SMILESCC(C)CCc1cccc2oc(-c3ccccc3)c(O)c(=O)c12
InChIInChI=1S/C20H20O3/c1-13(2)11-12-14-9-6-10-16-17(14)18(21)19(22)20(23-16)15-7-4-3-5-8-15/h3-10,13,22H,11-12H2,1-2H3
InChIKeyCVLWWCDBKUFRDW-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.75
Rot. Bonds4

About 3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one

3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one (PubChem CID 168878132) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one
PubChem CID168878132
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one
SMILESCC(C)CCc1cccc2oc(-c3ccccc3)c(O)c(=O)c12
InChIInChI=1S/C20H20O3/c1-13(2)11-12-14-9-6-10-16-17(14)18(21)19(22)20(23-16)15-7-4-3-5-8-15/h3-10,13,22H,11-12H2,1-2H3
InChIKeyCVLWWCDBKUFRDW-UHFFFAOYSA-N
XLogP4.75
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-5-pentyl-2-phenylchromen-4-one
CID 67380018
N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide
CID 141231274
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3-hydroxy-7-(4-methylpentan-2-yl)-2-phenylchromen-4-one
CID 167062860
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
8-hydroxy-7-phenylfuro[3,2-f]chromen-9-one
CID 4304691
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528412
8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane
CID 144894370
3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
CID 91901557

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one?
The IUPAC name of 3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one (CID 168878132) is 3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one.
What is the SMILES notation for 3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one?
The canonical SMILES for 3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one is CC(C)CCc1cccc2oc(-c3ccccc3)c(O)c(=O)c12.
What is the InChIKey of 3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one?
The InChIKey is CVLWWCDBKUFRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-13(2)11-12-14-9-6-10-16-17(14)18(21)19(22)20(23-16)15-7-4-3-5-8-15/h3-10,13,22H,11-12H2,1-2H3.
What are the key properties of 3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one?
3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one has a molecular weight of 308.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one is sourced from PubChem (CID 168878132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).