methyl 2-(oxan-4-yloxymethyl)benzoate

C14H18O4 — CID 81434511

IUPACmethyl 2-(oxan-4-yloxymethyl)benzoate
SMILESCOC(=O)c1ccccc1COC1CCOCC1
InChIInChI=1S/C14H18O4/c1-16-14(15)13-5-3-2-4-11(13)10-18-12-6-8-17-9-7-12/h2-5,12H,6-10H2,1H3
InChIKeyQMXIXSYCWQFEBL-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.17
Rot. Bonds4

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

methyl 2-(oxan-4-yloxymethyl)benzoate (PubChem CID 81434511) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-(oxan-4-yloxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(oxan-4-yloxymethyl)benzoate
PubChem CID81434511
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-(oxan-4-yloxymethyl)benzoate
SMILESCOC(=O)c1ccccc1COC1CCOCC1
InChIInChI=1S/C14H18O4/c1-16-14(15)13-5-3-2-4-11(13)10-18-12-6-8-17-9-7-12/h2-5,12H,6-10H2,1H3
InChIKeyQMXIXSYCWQFEBL-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(azetidin-3-yloxymethyl)benzoate
CID 53410594
2-[2-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 113314325
methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
CID 82976185
N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 61287384
methyl 2-[[1-(oxan-4-yl)ethylamino]methyl]benzoate
CID 103923703
4-[[[2-(oxan-4-yloxymethyl)benzoyl]amino]methyl]benzoic acid
CID 119353331
methyl 2-[(oxolan-3-ylamino)methyl]benzoate
CID 80716904
2-[2-fluoro-4-[[2-(oxan-4-yloxymethyl)benzoyl]amino]phenyl]acetic acid
CID 122109590
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide
CID 126768778
2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 115464442
(E)-3-[2-(oxan-4-yloxymethyl)phenyl]prop-2-enoic acid
CID 109375604
4-phenylmethoxyoxane
CID 66554133

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-4-yloxymethyl)benzoate?
The IUPAC name of methyl 2-(oxan-4-yloxymethyl)benzoate (CID 81434511) is methyl 2-(oxan-4-yloxymethyl)benzoate.
What is the SMILES notation for methyl 2-(oxan-4-yloxymethyl)benzoate?
The canonical SMILES for methyl 2-(oxan-4-yloxymethyl)benzoate is COC(=O)c1ccccc1COC1CCOCC1.
What is the InChIKey of methyl 2-(oxan-4-yloxymethyl)benzoate?
The InChIKey is QMXIXSYCWQFEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-14(15)13-5-3-2-4-11(13)10-18-12-6-8-17-9-7-12/h2-5,12H,6-10H2,1H3.
What are the key properties of methyl 2-(oxan-4-yloxymethyl)benzoate?
methyl 2-(oxan-4-yloxymethyl)benzoate has a molecular weight of 250.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-4-yloxymethyl)benzoate is sourced from PubChem (CID 81434511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).