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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Related Compounds

2,2-diethyl-4,4-dimethyl-3H-chromene
CID 146403608
4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol
CID 1202572
4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one
CID 23614951
3-(2-ethylphenyl)-3-methyldioxirane
CID 140599569
1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
1-ethyl-2-(1-methylcyclohexyl)benzene
CID 71388043
4-ethoxy-2,2-dimethyl-3H-chromene-4-carbonitrile
CID 81141966
2-[4-(ethylamino)-2,2-dimethyl-3H-chromen-4-yl]acetamide
CID 81142408
3,3-dimethyl-2H-1-benzofuran;ethanesulfonic acid
CID 158235546
4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile
CID 81142401
4-(7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol
CID 162010802
3-ethyl-3-methyl-2H-1-benzofuran
CID 145054107

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).