2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene

C20H24O — CID 143140555

IUPAC2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene
SMILESCCc1ccccc1C1(C)CC(C)(C)c2ccccc2O1
InChIInChI=1S/C20H24O/c1-5-15-10-6-7-11-16(15)20(4)14-19(2,3)17-12-8-9-13-18(17)21-20/h6-13H,5,14H2,1-4H3
InChIKeyFASVEMKXGRGKIH-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.22
Rot. Bonds2

About 2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene

2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene (PubChem CID 143140555) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene
PubChem CID143140555
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene
SMILESCCc1ccccc1C1(C)CC(C)(C)c2ccccc2O1
InChIInChI=1S/C20H24O/c1-5-15-10-6-7-11-16(15)20(4)14-19(2,3)17-12-8-9-13-18(17)21-20/h6-13H,5,14H2,1-4H3
InChIKeyFASVEMKXGRGKIH-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene?
The IUPAC name of 2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene (CID 143140555) is 2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene.
What is the SMILES notation for 2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene?
The canonical SMILES for 2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene is CCc1ccccc1C1(C)CC(C)(C)c2ccccc2O1.
What is the InChIKey of 2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene?
The InChIKey is FASVEMKXGRGKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-5-15-10-6-7-11-16(15)20(4)14-19(2,3)17-12-8-9-13-18(17)21-20/h6-13H,5,14H2,1-4H3.
What are the key properties of 2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene?
2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene has a molecular weight of 280.41 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene is sourced from PubChem (CID 143140555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).