ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene

C23H28O2 — CID 171088384

IUPACethane;3-ethyl-2H-chromene;3-methyl-2H-chromene
SMILESCC.CC1=Cc2ccccc2OC1.CCC1=Cc2ccccc2OC1
InChIInChI=1S/C11H12O.C10H10O.C2H6/c1-2-9-7-10-5-3-4-6-11(10)12-8-9;1-8-6-9-4-2-3-5-10(9)11-7-8;1-2/h3-7H,2,8H2,1H3;2-6H,7H2,1H3;1-2H3
InChIKeyAFXHQQBMZMTBMY-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.38
Rot. Bonds1

About ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene

ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene (PubChem CID 171088384) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene.

Molecular Properties

Compound Nameethane;3-ethyl-2H-chromene;3-methyl-2H-chromene
PubChem CID171088384
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Nameethane;3-ethyl-2H-chromene;3-methyl-2H-chromene
SMILESCC.CC1=Cc2ccccc2OC1.CCC1=Cc2ccccc2OC1
InChIInChI=1S/C11H12O.C10H10O.C2H6/c1-2-9-7-10-5-3-4-6-11(10)12-8-9;1-8-6-9-4-2-3-5-10(9)11-7-8;1-2/h3-7H,2,8H2,1H3;2-6H,7H2,1H3;1-2H3
InChIKeyAFXHQQBMZMTBMY-UHFFFAOYSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene?
The IUPAC name of ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene (CID 171088384) is ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene.
What is the SMILES notation for ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene?
The canonical SMILES for ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene is CC.CC1=Cc2ccccc2OC1.CCC1=Cc2ccccc2OC1.
What is the InChIKey of ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene?
The InChIKey is AFXHQQBMZMTBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C10H10O.C2H6/c1-2-9-7-10-5-3-4-6-11(10)12-8-9;1-8-6-9-4-2-3-5-10(9)11-7-8;1-2/h3-7H,2,8H2,1H3;2-6H,7H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene?
ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene has a molecular weight of 336.48 g/mol, XLogP of 6.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene is sourced from PubChem (CID 171088384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).