methyl 4-(oxolan-2-ylmethoxymethyl)benzoate

C14H18O4 — CID 43120523

IUPACmethyl 4-(oxolan-2-ylmethoxymethyl)benzoate
SMILESCOC(=O)c1ccc(COCC2CCCO2)cc1
InChIInChI=1S/C14H18O4/c1-16-14(15)12-6-4-11(5-7-12)9-17-10-13-3-2-8-18-13/h4-7,13H,2-3,8-10H2,1H3
InChIKeyALSCTRMQDWASSO-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.17
Rot. Bonds5

About methyl 4-(oxolan-2-ylmethoxymethyl)benzoate

methyl 4-(oxolan-2-ylmethoxymethyl)benzoate (PubChem CID 43120523) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 4-(oxolan-2-ylmethoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(oxolan-2-ylmethoxymethyl)benzoate
PubChem CID43120523
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 4-(oxolan-2-ylmethoxymethyl)benzoate
SMILESCOC(=O)c1ccc(COCC2CCCO2)cc1
InChIInChI=1S/C14H18O4/c1-16-14(15)12-6-4-11(5-7-12)9-17-10-13-3-2-8-18-13/h4-7,13H,2-3,8-10H2,1H3
InChIKeyALSCTRMQDWASSO-UHFFFAOYSA-N
XLogP2.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 4-[[2-(oxolan-2-yl)ethylamino]methyl]benzoate
CID 60767010
(4-methoxycarbonylphenyl) 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2677890
4-[[(2S)-oxolan-2-yl]methoxymethyl]benzaldehyde
CID 97294037
N-[2-[4-(oxolan-2-ylmethoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349489
4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
methyl 4-[[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 23964815
methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232042
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
CID 106793954
2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
CID 54970562
4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid
CID 62023686

Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxolan-2-ylmethoxymethyl)benzoate?
The IUPAC name of methyl 4-(oxolan-2-ylmethoxymethyl)benzoate (CID 43120523) is methyl 4-(oxolan-2-ylmethoxymethyl)benzoate.
What is the SMILES notation for methyl 4-(oxolan-2-ylmethoxymethyl)benzoate?
The canonical SMILES for methyl 4-(oxolan-2-ylmethoxymethyl)benzoate is COC(=O)c1ccc(COCC2CCCO2)cc1.
What is the InChIKey of methyl 4-(oxolan-2-ylmethoxymethyl)benzoate?
The InChIKey is ALSCTRMQDWASSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-14(15)12-6-4-11(5-7-12)9-17-10-13-3-2-8-18-13/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of methyl 4-(oxolan-2-ylmethoxymethyl)benzoate?
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate has a molecular weight of 250.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxolan-2-ylmethoxymethyl)benzoate is sourced from PubChem (CID 43120523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).