propyl 2-(methoxymethyl)benzoate

C12H16O3 — CID 78862382

IUPACpropyl 2-(methoxymethyl)benzoate
SMILESCCCOC(=O)c1ccccc1COC
InChIInChI=1S/C12H16O3/c1-3-8-15-12(13)11-7-5-4-6-10(11)9-14-2/h4-7H,3,8-9H2,1-2H3
InChIKeyUBLWEFBWCCCORF-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.40
Rot. Bonds5

About propyl 2-(methoxymethyl)benzoate

propyl 2-(methoxymethyl)benzoate (PubChem CID 78862382) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is propyl 2-(methoxymethyl)benzoate.

Molecular Properties

Compound Namepropyl 2-(methoxymethyl)benzoate
PubChem CID78862382
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namepropyl 2-(methoxymethyl)benzoate
SMILESCCCOC(=O)c1ccccc1COC
InChIInChI=1S/C12H16O3/c1-3-8-15-12(13)11-7-5-4-6-10(11)9-14-2/h4-7H,3,8-9H2,1-2H3
InChIKeyUBLWEFBWCCCORF-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-methylperoxycarbonylbenzoate
CID 151434775
but-2-enyl 2-(methoxymethyl)benzoate
CID 76861630
butyl 8-(methoxymethyl)naphthalene-1-carboxylate
CID 139767839
propyl 2-methylbenzoate
CID 23432654
butyl 2-propylbenzoate
CID 20558593
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
2-O-nonyl 1-O-propyl benzene-1,2-dicarboxylate
CID 525243
ethane;propyl 2-bromobenzoate
CID 90697369
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
propyl 2-amino-3-(methylsulfanylmethyl)benzoate
CID 104721964
butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate
CID 11681436
propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate
CID 141181595

Frequently Asked Questions

What is the IUPAC name of propyl 2-(methoxymethyl)benzoate?
The IUPAC name of propyl 2-(methoxymethyl)benzoate (CID 78862382) is propyl 2-(methoxymethyl)benzoate.
What is the SMILES notation for propyl 2-(methoxymethyl)benzoate?
The canonical SMILES for propyl 2-(methoxymethyl)benzoate is CCCOC(=O)c1ccccc1COC.
What is the InChIKey of propyl 2-(methoxymethyl)benzoate?
The InChIKey is UBLWEFBWCCCORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-8-15-12(13)11-7-5-4-6-10(11)9-14-2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of propyl 2-(methoxymethyl)benzoate?
propyl 2-(methoxymethyl)benzoate has a molecular weight of 208.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(methoxymethyl)benzoate is sourced from PubChem (CID 78862382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).