4-ethyl-4H-chromene

C11H12O — CID 91024719

IUPAC4-ethyl-4H-chromene
SMILESCCC1C=COc2ccccc21
InChIInChI=1S/C11H12O/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h3-9H,2H2,1H3
InChIKeyPTXMAKUETJCSOZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP3.09
Rot. Bonds1

About 4-ethyl-4H-chromene

4-ethyl-4H-chromene (PubChem CID 91024719) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-ethyl-4H-chromene.

Molecular Properties

Compound Name4-ethyl-4H-chromene
PubChem CID91024719
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name4-ethyl-4H-chromene
SMILESCCC1C=COc2ccccc21
InChIInChI=1S/C11H12O/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h3-9H,2H2,1H3
InChIKeyPTXMAKUETJCSOZ-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4H-chromene-4-carboxylate
CID 91620312
4H-chromen-4-ol;hydrochloride
CID 70045554
1-ethyl-4-methoxy-1,4-dihydronaphthalene
CID 101029310
1,4-benzodioxine
CID 158348476
9-methyl-9H-xanthene;propane
CID 143256907
3-(4H-chromen-4-yl)-1H-indole
CID 91355183
(2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran
CID 11806703
ethane;3-ethyl-3H-1-benzofuran-2-one
CID 91217558
2-ethoxy-3-fluoro-2,3-dihydro-1-benzofuran
CID 141453063
2-(4H-chromen-4-yloxycarbonylamino)propanoic acid
CID 141356200
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide
CID 70873886

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4H-chromene?
The IUPAC name of 4-ethyl-4H-chromene (CID 91024719) is 4-ethyl-4H-chromene.
What is the SMILES notation for 4-ethyl-4H-chromene?
The canonical SMILES for 4-ethyl-4H-chromene is CCC1C=COc2ccccc21.
What is the InChIKey of 4-ethyl-4H-chromene?
The InChIKey is PTXMAKUETJCSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h3-9H,2H2,1H3.
What are the key properties of 4-ethyl-4H-chromene?
4-ethyl-4H-chromene has a molecular weight of 160.22 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4H-chromene is sourced from PubChem (CID 91024719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).