ethane;7-ethyl-2H-chromene

C13H18O — CID 171509534

IUPACethane;7-ethyl-2H-chromene
SMILESCC.CCc1ccc2c(c1)OCC=C2
InChIInChI=1S/C11H12O.C2H6/c1-2-9-5-6-10-4-3-7-12-11(10)8-9;1-2/h3-6,8H,2,7H2,1H3;1-2H3
InChIKeyLRMBVMXLQWNNPW-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.68
Rot. Bonds1

About ethane;7-ethyl-2H-chromene

ethane;7-ethyl-2H-chromene (PubChem CID 171509534) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;7-ethyl-2H-chromene.

Molecular Properties

Compound Nameethane;7-ethyl-2H-chromene
PubChem CID171509534
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nameethane;7-ethyl-2H-chromene
SMILESCC.CCc1ccc2c(c1)OCC=C2
InChIInChI=1S/C11H12O.C2H6/c1-2-9-5-6-10-4-3-7-12-11(10)8-9;1-2/h3-6,8H,2,7H2,1H3;1-2H3
InChIKeyLRMBVMXLQWNNPW-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-2H-chromene?
The IUPAC name of ethane;7-ethyl-2H-chromene (CID 171509534) is ethane;7-ethyl-2H-chromene.
What is the SMILES notation for ethane;7-ethyl-2H-chromene?
The canonical SMILES for ethane;7-ethyl-2H-chromene is CC.CCc1ccc2c(c1)OCC=C2.
What is the InChIKey of ethane;7-ethyl-2H-chromene?
The InChIKey is LRMBVMXLQWNNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C2H6/c1-2-9-5-6-10-4-3-7-12-11(10)8-9;1-2/h3-6,8H,2,7H2,1H3;1-2H3.
What are the key properties of ethane;7-ethyl-2H-chromene?
ethane;7-ethyl-2H-chromene has a molecular weight of 190.29 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-2H-chromene is sourced from PubChem (CID 171509534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).