methyl 4-(oxan-2-yloxymethyl)benzoate

C14H18O4 — CID 11172734

IUPACmethyl 4-(oxan-2-yloxymethyl)benzoate
SMILESCOC(=O)c1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C14H18O4/c1-16-14(15)12-7-5-11(6-8-12)10-18-13-4-2-3-9-17-13/h5-8,13H,2-4,9-10H2,1H3
InChIKeyZDYAHAQOWOODCL-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.52
Rot. Bonds4

About methyl 4-(oxan-2-yloxymethyl)benzoate

methyl 4-(oxan-2-yloxymethyl)benzoate (PubChem CID 11172734) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 4-(oxan-2-yloxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(oxan-2-yloxymethyl)benzoate
PubChem CID11172734
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 4-(oxan-2-yloxymethyl)benzoate
SMILESCOC(=O)c1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C14H18O4/c1-16-14(15)12-7-5-11(6-8-12)10-18-13-4-2-3-9-17-13/h5-8,13H,2-4,9-10H2,1H3
InChIKeyZDYAHAQOWOODCL-UHFFFAOYSA-N
XLogP2.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxan-2-yloxymethyl)benzoate?
The IUPAC name of methyl 4-(oxan-2-yloxymethyl)benzoate (CID 11172734) is methyl 4-(oxan-2-yloxymethyl)benzoate.
What is the SMILES notation for methyl 4-(oxan-2-yloxymethyl)benzoate?
The canonical SMILES for methyl 4-(oxan-2-yloxymethyl)benzoate is COC(=O)c1ccc(COC2CCCCO2)cc1.
What is the InChIKey of methyl 4-(oxan-2-yloxymethyl)benzoate?
The InChIKey is ZDYAHAQOWOODCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-14(15)12-7-5-11(6-8-12)10-18-13-4-2-3-9-17-13/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of methyl 4-(oxan-2-yloxymethyl)benzoate?
methyl 4-(oxan-2-yloxymethyl)benzoate has a molecular weight of 250.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxan-2-yloxymethyl)benzoate is sourced from PubChem (CID 11172734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).