2H-chromene;ethane

C11H14O — CID 68570874

IUPAC2H-chromene;ethane
SMILESC1=Cc2ccccc2OC1.CC
InChIInChI=1S/C9H8O.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-6H,7H2;1-2H3
InChIKeyQADKHCHSQDCQKS-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.12
Rot. Bonds

About 2H-chromene;ethane

2H-chromene;ethane (PubChem CID 68570874) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2H-chromene;ethane.

Molecular Properties

Compound Name2H-chromene;ethane
PubChem CID68570874
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2H-chromene;ethane
SMILESC1=Cc2ccccc2OC1.CC
InChIInChI=1S/C9H8O.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-6H,7H2;1-2H3
InChIKeyQADKHCHSQDCQKS-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene;ethane?
The IUPAC name of 2H-chromene;ethane (CID 68570874) is 2H-chromene;ethane.
What is the SMILES notation for 2H-chromene;ethane?
The canonical SMILES for 2H-chromene;ethane is C1=Cc2ccccc2OC1.CC.
What is the InChIKey of 2H-chromene;ethane?
The InChIKey is QADKHCHSQDCQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-6H,7H2;1-2H3.
What are the key properties of 2H-chromene;ethane?
2H-chromene;ethane has a molecular weight of 162.23 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;ethane is sourced from PubChem (CID 68570874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).