2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one

C14H14O2 — CID 79977331

IUPAC2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(c2cccc(C3CC3)c2)C1
InChIInChI=1S/C14H14O2/c15-13-6-7-16-14(9-13)12-3-1-2-11(8-12)10-4-5-10/h1-3,6-8,10,14H,4-5,9H2
InChIKeyQNKFIJJHLGDJQE-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.11
Rot. Bonds2

About 2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one

2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one (PubChem CID 79977331) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one
PubChem CID79977331
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(c2cccc(C3CC3)c2)C1
InChIInChI=1S/C14H14O2/c15-13-6-7-16-14(9-13)12-3-1-2-11(8-12)10-4-5-10/h1-3,6-8,10,14H,4-5,9H2
InChIKeyQNKFIJJHLGDJQE-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one (CID 79977331) is 2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one is O=C1C=COC(c2cccc(C3CC3)c2)C1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one?
The InChIKey is QNKFIJJHLGDJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-13-6-7-16-14(9-13)12-3-1-2-11(8-12)10-4-5-10/h1-3,6-8,10,14H,4-5,9H2.
What are the key properties of 2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one?
2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one has a molecular weight of 214.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 79977331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).