ethane;2-methyl-2H-chromene-3-carboxylic acid

C13H16O3 — CID 91304303

IUPACethane;2-methyl-2H-chromene-3-carboxylic acid
SMILESCC.CC1Oc2ccccc2C=C1C(=O)O
InChIInChI=1S/C11H10O3.C2H6/c1-7-9(11(12)13)6-8-4-2-3-5-10(8)14-7;1-2/h2-7H,1H3,(H,12,13);1-2H3
InChIKeyVUELHEFOPWKOSN-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.96
Rot. Bonds1

About ethane;2-methyl-2H-chromene-3-carboxylic acid

ethane;2-methyl-2H-chromene-3-carboxylic acid (PubChem CID 91304303) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethane;2-methyl-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Nameethane;2-methyl-2H-chromene-3-carboxylic acid
PubChem CID91304303
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nameethane;2-methyl-2H-chromene-3-carboxylic acid
SMILESCC.CC1Oc2ccccc2C=C1C(=O)O
InChIInChI=1S/C11H10O3.C2H6/c1-7-9(11(12)13)6-8-4-2-3-5-10(8)14-7;1-2/h2-7H,1H3,(H,12,13);1-2H3
InChIKeyVUELHEFOPWKOSN-UHFFFAOYSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2H-chromene-3-carboxylic acid?
The IUPAC name of ethane;2-methyl-2H-chromene-3-carboxylic acid (CID 91304303) is ethane;2-methyl-2H-chromene-3-carboxylic acid.
What is the SMILES notation for ethane;2-methyl-2H-chromene-3-carboxylic acid?
The canonical SMILES for ethane;2-methyl-2H-chromene-3-carboxylic acid is CC.CC1Oc2ccccc2C=C1C(=O)O.
What is the InChIKey of ethane;2-methyl-2H-chromene-3-carboxylic acid?
The InChIKey is VUELHEFOPWKOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3.C2H6/c1-7-9(11(12)13)6-8-4-2-3-5-10(8)14-7;1-2/h2-7H,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;2-methyl-2H-chromene-3-carboxylic acid?
ethane;2-methyl-2H-chromene-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 91304303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).