(2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one

C19H18O3 — CID 162665182

IUPAC(2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H](COc2ccccc2Cc2ccccc2)O1
InChIInChI=1S/C19H18O3/c20-19-12-6-10-17(22-19)14-21-18-11-5-4-9-16(18)13-15-7-2-1-3-8-15/h1-9,11-12,17H,10,13-14H2/t17-/m1/s1
InChIKeyWPPDMMQYSJPCLL-QGZVFWFLSA-N
MW294.35 g/mol
LogP3.53
Rot. Bonds5

About (2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one

(2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one (PubChem CID 162665182) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one
PubChem CID162665182
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H](COc2ccccc2Cc2ccccc2)O1
InChIInChI=1S/C19H18O3/c20-19-12-6-10-17(22-19)14-21-18-11-5-4-9-16(18)13-15-7-2-1-3-8-15/h1-9,11-12,17H,10,13-14H2/t17-/m1/s1
InChIKeyWPPDMMQYSJPCLL-QGZVFWFLSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one (CID 162665182) is (2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one is O=C1C=CC[C@H](COc2ccccc2Cc2ccccc2)O1.
What is the InChIKey of (2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one?
The InChIKey is WPPDMMQYSJPCLL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18O3/c20-19-12-6-10-17(22-19)14-21-18-11-5-4-9-16(18)13-15-7-2-1-3-8-15/h1-9,11-12,17H,10,13-14H2/t17-/m1/s1.
What are the key properties of (2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one?
(2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one has a molecular weight of 294.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 162665182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).