2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene

C24H22O2 — CID 2861131

IUPAC2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene
SMILESCCOc1ccc(C2=CC(c3ccccc3C)c3ccccc3O2)cc1
InChIInChI=1S/C24H22O2/c1-3-25-19-14-12-18(13-15-19)24-16-22(20-9-5-4-8-17(20)2)21-10-6-7-11-23(21)26-24/h4-16,22H,3H2,1-2H3
InChIKeyUIWRHHVNLHCHEW-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.96
Rot. Bonds4

About 2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene

2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene (PubChem CID 2861131) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene
PubChem CID2861131
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene
SMILESCCOc1ccc(C2=CC(c3ccccc3C)c3ccccc3O2)cc1
InChIInChI=1S/C24H22O2/c1-3-25-19-14-12-18(13-15-19)24-16-22(20-9-5-4-8-17(20)2)21-10-6-7-11-23(21)26-24/h4-16,22H,3H2,1-2H3
InChIKeyUIWRHHVNLHCHEW-UHFFFAOYSA-N
XLogP5.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-(4-ethoxyphenyl)-4-(4-methylphenyl)-4H-chromene-3-carbaldehyde
CID 1362893
3-ethoxy-9H-xanthen-9-amine
CID 20793754
(5Z)-5-[[2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5343238
4-[[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methyl]morpholine
CID 3119771
4-[[(4S)-2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methyl]morpholine
CID 1107537
2-(4-fluorophenyl)-4-methyl-4H-chromene
CID 70356330
4-[[2-(4-ethoxyphenyl)-4-phenyl-4H-chromen-3-yl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23852582
ethyl (2S,3S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxylate
CID 102479968
1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
CID 2283423
(Z)-3-[(4S)-2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 92911906
2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364487
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene?
The IUPAC name of 2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene (CID 2861131) is 2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene is CCOc1ccc(C2=CC(c3ccccc3C)c3ccccc3O2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene?
The InChIKey is UIWRHHVNLHCHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-3-25-19-14-12-18(13-15-19)24-16-22(20-9-5-4-8-17(20)2)21-10-6-7-11-23(21)26-24/h4-16,22H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene?
2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene has a molecular weight of 342.44 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene is sourced from PubChem (CID 2861131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).