8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

C19H18O4 — CID 70069758

IUPAC8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESCCCCc1c(O)ccc2c(=O)cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C19H18O4/c1-2-3-4-14-16(21)10-9-15-17(22)11-18(23-19(14)15)12-5-7-13(20)8-6-12/h5-11,20-21H,2-4H2,1H3
InChIKeyVWEKTELVXFPHLG-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.21
Rot. Bonds4

About 8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one (PubChem CID 70069758) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
PubChem CID70069758
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESCCCCc1c(O)ccc2c(=O)cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C19H18O4/c1-2-3-4-14-16(21)10-9-15-17(22)11-18(23-19(14)15)12-5-7-13(20)8-6-12/h5-11,20-21H,2-4H2,1H3
InChIKeyVWEKTELVXFPHLG-UHFFFAOYSA-N
XLogP4.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one
CID 70072190
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
2-(4-hydroxyphenyl)-8-methylchromen-4-one
CID 24721527
6,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 59800838
2-(4-hydroxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
CID 141466718
2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one
CID 70071664
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986
bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one
CID 175725603
8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one
CID 155894878

Frequently Asked Questions

What is the IUPAC name of 8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one (CID 70069758) is 8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one is CCCCc1c(O)ccc2c(=O)cc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is VWEKTELVXFPHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-2-3-4-14-16(21)10-9-15-17(22)11-18(23-19(14)15)12-5-7-13(20)8-6-12/h5-11,20-21H,2-4H2,1H3.
What are the key properties of 8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one?
8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 310.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 70069758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).