2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate

C14H18O3 — CID 11031797

IUPAC2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate
SMILESCC(C)COC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C14H18O3/c1-10(2)9-16-14(15)13-8-7-11-5-3-4-6-12(11)17-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyOIJHEGQUTBRYJP-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.58
Rot. Bonds3

About 2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate

2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate (PubChem CID 11031797) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate
PubChem CID11031797
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate
SMILESCC(C)COC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C14H18O3/c1-10(2)9-16-14(15)13-8-7-11-5-3-4-6-12(11)17-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyOIJHEGQUTBRYJP-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate?
The IUPAC name of 2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate (CID 11031797) is 2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate?
The canonical SMILES for 2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate is CC(C)COC(=O)C1CCc2ccccc2O1.
What is the InChIKey of 2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate?
The InChIKey is OIJHEGQUTBRYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(2)9-16-14(15)13-8-7-11-5-3-4-6-12(11)17-13/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate?
2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate has a molecular weight of 234.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate is sourced from PubChem (CID 11031797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).