3-(2,4-diethylphenyl)-7-hydroxychromen-2-one

C19H18O3 — CID 126606459

IUPAC3-(2,4-diethylphenyl)-7-hydroxychromen-2-one
SMILESCCc1ccc(-c2cc3ccc(O)cc3oc2=O)c(CC)c1
InChIInChI=1S/C19H18O3/c1-3-12-5-8-16(13(4-2)9-12)17-10-14-6-7-15(20)11-18(14)22-19(17)21/h5-11,20H,3-4H2,1-2H3
InChIKeyKRDBTKRJFNBUJV-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.29
Rot. Bonds3

About 3-(2,4-diethylphenyl)-7-hydroxychromen-2-one

3-(2,4-diethylphenyl)-7-hydroxychromen-2-one (PubChem CID 126606459) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(2,4-diethylphenyl)-7-hydroxychromen-2-one.

Molecular Properties

Compound Name3-(2,4-diethylphenyl)-7-hydroxychromen-2-one
PubChem CID126606459
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name3-(2,4-diethylphenyl)-7-hydroxychromen-2-one
SMILESCCc1ccc(-c2cc3ccc(O)cc3oc2=O)c(CC)c1
InChIInChI=1S/C19H18O3/c1-3-12-5-8-16(13(4-2)9-12)17-10-14-6-7-15(20)11-18(14)22-19(17)21/h5-11,20H,3-4H2,1-2H3
InChIKeyKRDBTKRJFNBUJV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[4-ethyl-2-(trifluoromethoxy)phenyl]-7-hydroxychromen-2-one
CID 138735929
3-(2-ethyl-4-pentylphenyl)-7-sulfanylchromen-2-one
CID 126606369
7-hydroxy-3-(2-methoxy-4-pentylphenyl)chromen-2-one
CID 146412159
3-(2-ethyl-4-hexylphenyl)-7-methoxychromen-2-one
CID 166685960
[3-bromo-4-(7-hydroxy-2-oxochromen-3-yl)phenyl] acetate
CID 132583696
7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one
CID 71722134
[4-[3-(2,4-diethylphenyl)-2-oxochromen-7-yl]oxy-2,4-dimethylpentan-2-yl] 2-tert-butyl-4,4-dimethylpentanoate
CID 126606440
4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol
CID 101302857
3-(2,4-diethylphenyl)-7-(hydroxymethoxy)chromene-2-thione
CID 140898561
2-(7-hydroxy-2-oxochromen-3-yl)acetic acid
CID 22167456
7-hydroxy-3-pyrimidin-2-ylchromen-2-one
CID 137183754
3-(4-bromophenyl)-7-hydroxychromen-2-one
CID 5393163

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diethylphenyl)-7-hydroxychromen-2-one?
The IUPAC name of 3-(2,4-diethylphenyl)-7-hydroxychromen-2-one (CID 126606459) is 3-(2,4-diethylphenyl)-7-hydroxychromen-2-one.
What is the SMILES notation for 3-(2,4-diethylphenyl)-7-hydroxychromen-2-one?
The canonical SMILES for 3-(2,4-diethylphenyl)-7-hydroxychromen-2-one is CCc1ccc(-c2cc3ccc(O)cc3oc2=O)c(CC)c1.
What is the InChIKey of 3-(2,4-diethylphenyl)-7-hydroxychromen-2-one?
The InChIKey is KRDBTKRJFNBUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-12-5-8-16(13(4-2)9-12)17-10-14-6-7-15(20)11-18(14)22-19(17)21/h5-11,20H,3-4H2,1-2H3.
What are the key properties of 3-(2,4-diethylphenyl)-7-hydroxychromen-2-one?
3-(2,4-diethylphenyl)-7-hydroxychromen-2-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-(2,4-diethylphenyl)-7-hydroxychromen-2-one is sourced from PubChem (CID 126606459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).