2-(phenoxymethyl)-3,4-dihydro-2H-pyran

C12H14O2 — CID 118861719

IUPAC2-(phenoxymethyl)-3,4-dihydro-2H-pyran
SMILESC1=COC(COc2ccccc2)CC1
InChIInChI=1S/C12H14O2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-3,5-7,9,12H,4,8,10H2
InChIKeyRXAQKPCXCAMDND-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.76
Rot. Bonds3

About 2-(phenoxymethyl)-3,4-dihydro-2H-pyran

2-(phenoxymethyl)-3,4-dihydro-2H-pyran (PubChem CID 118861719) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(phenoxymethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(phenoxymethyl)-3,4-dihydro-2H-pyran
PubChem CID118861719
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(phenoxymethyl)-3,4-dihydro-2H-pyran
SMILESC1=COC(COc2ccccc2)CC1
InChIInChI=1S/C12H14O2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-3,5-7,9,12H,4,8,10H2
InChIKeyRXAQKPCXCAMDND-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-(phenoxymethyl)-3,4-dihydro-2H-pyran (CID 118861719) is 2-(phenoxymethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-(phenoxymethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-(phenoxymethyl)-3,4-dihydro-2H-pyran is C1=COC(COc2ccccc2)CC1.
What is the InChIKey of 2-(phenoxymethyl)-3,4-dihydro-2H-pyran?
The InChIKey is RXAQKPCXCAMDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-3,5-7,9,12H,4,8,10H2.
What are the key properties of 2-(phenoxymethyl)-3,4-dihydro-2H-pyran?
2-(phenoxymethyl)-3,4-dihydro-2H-pyran has a molecular weight of 190.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118861719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).