propan-2-yl 2H-chromene-2-carboxylate

C13H14O3 — CID 101402460

IUPACpropan-2-yl 2H-chromene-2-carboxylate
SMILESCC(C)OC(=O)C1C=Cc2ccccc2O1
InChIInChI=1S/C13H14O3/c1-9(2)15-13(14)12-8-7-10-5-3-4-6-11(10)16-12/h3-9,12H,1-2H3
InChIKeyMLYXBHQEZKVJAD-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.41
Rot. Bonds2

About propan-2-yl 2H-chromene-2-carboxylate

propan-2-yl 2H-chromene-2-carboxylate (PubChem CID 101402460) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is propan-2-yl 2H-chromene-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2H-chromene-2-carboxylate
PubChem CID101402460
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namepropan-2-yl 2H-chromene-2-carboxylate
SMILESCC(C)OC(=O)C1C=Cc2ccccc2O1
InChIInChI=1S/C13H14O3/c1-9(2)15-13(14)12-8-7-10-5-3-4-6-11(10)16-12/h3-9,12H,1-2H3
InChIKeyMLYXBHQEZKVJAD-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2H-chromene-2-carboxylate?
The IUPAC name of propan-2-yl 2H-chromene-2-carboxylate (CID 101402460) is propan-2-yl 2H-chromene-2-carboxylate.
What is the SMILES notation for propan-2-yl 2H-chromene-2-carboxylate?
The canonical SMILES for propan-2-yl 2H-chromene-2-carboxylate is CC(C)OC(=O)C1C=Cc2ccccc2O1.
What is the InChIKey of propan-2-yl 2H-chromene-2-carboxylate?
The InChIKey is MLYXBHQEZKVJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-9(2)15-13(14)12-8-7-10-5-3-4-6-11(10)16-12/h3-9,12H,1-2H3.
What are the key properties of propan-2-yl 2H-chromene-2-carboxylate?
propan-2-yl 2H-chromene-2-carboxylate has a molecular weight of 218.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2H-chromene-2-carboxylate is sourced from PubChem (CID 101402460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).