3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one

C19H18O3 — CID 175502832

IUPAC3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one
SMILESCCc1ccccc1-c1oc2ccc(O)cc2c(=O)c1CC
InChIInChI=1S/C19H18O3/c1-3-12-7-5-6-8-15(12)19-14(4-2)18(21)16-11-13(20)9-10-17(16)22-19/h5-11,20H,3-4H2,1-2H3
InChIKeyGFQHFKWTYVPFJM-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.29
Rot. Bonds3

About 3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one

3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one (PubChem CID 175502832) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one
PubChem CID175502832
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one
SMILESCCc1ccccc1-c1oc2ccc(O)cc2c(=O)c1CC
InChIInChI=1S/C19H18O3/c1-3-12-7-5-6-8-15(12)19-14(4-2)18(21)16-11-13(20)9-10-17(16)22-19/h5-11,20H,3-4H2,1-2H3
InChIKeyGFQHFKWTYVPFJM-UHFFFAOYSA-N
XLogP4.29
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one
CID 70447716
6-acetyl-3-ethyl-2-phenylchromen-4-one
CID 13308875
2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
CID 58171393
2-(2-ethyl-5-hydroxyphenyl)-1-benzofuran-3-carboxamide
CID 174959958
2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one
CID 21283901
7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one
CID 135027989
3-(2-chlorophenyl)-6-hydroxy-2-sulfanylchromen-4-one
CID 11580343
ethane;3-(2-ethyl-3-propylphenyl)-7-hydroxyisochromen-1-one
CID 144930610
2,3,7-trihydroxyxanthen-9-one
CID 14528805
6-hydroxy-2-(4-hydroxyphenyl)-3-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-4-one
CID 59780416
3-benzyl-7-hydroxy-2-methylchromen-4-one
CID 86159483
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one?
The IUPAC name of 3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one (CID 175502832) is 3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one.
What is the SMILES notation for 3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one?
The canonical SMILES for 3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one is CCc1ccccc1-c1oc2ccc(O)cc2c(=O)c1CC.
What is the InChIKey of 3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one?
The InChIKey is GFQHFKWTYVPFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-12-7-5-6-8-15(12)19-14(4-2)18(21)16-11-13(20)9-10-17(16)22-19/h5-11,20H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one?
3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one has a molecular weight of 294.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one is sourced from PubChem (CID 175502832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).