1-[(4-methylphenyl)methoxy]propan-2-yl formate

C12H16O3 — CID 58861581

IUPAC1-[(4-methylphenyl)methoxy]propan-2-yl formate
SMILESCc1ccc(COCC(C)OC=O)cc1
InChIInChI=1S/C12H16O3/c1-10-3-5-12(6-4-10)8-14-7-11(2)15-9-13/h3-6,9,11H,7-8H2,1-2H3
InChIKeyZUNOMDAAOGLRFV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.07
Rot. Bonds6

About 1-[(4-methylphenyl)methoxy]propan-2-yl formate

1-[(4-methylphenyl)methoxy]propan-2-yl formate (PubChem CID 58861581) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methoxy]propan-2-yl formate.

Molecular Properties

Compound Name1-[(4-methylphenyl)methoxy]propan-2-yl formate
PubChem CID58861581
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-[(4-methylphenyl)methoxy]propan-2-yl formate
SMILESCc1ccc(COCC(C)OC=O)cc1
InChIInChI=1S/C12H16O3/c1-10-3-5-12(6-4-10)8-14-7-11(2)15-9-13/h3-6,9,11H,7-8H2,1-2H3
InChIKeyZUNOMDAAOGLRFV-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methoxy]propan-2-yl formate?
The IUPAC name of 1-[(4-methylphenyl)methoxy]propan-2-yl formate (CID 58861581) is 1-[(4-methylphenyl)methoxy]propan-2-yl formate.
What is the SMILES notation for 1-[(4-methylphenyl)methoxy]propan-2-yl formate?
The canonical SMILES for 1-[(4-methylphenyl)methoxy]propan-2-yl formate is Cc1ccc(COCC(C)OC=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methoxy]propan-2-yl formate?
The InChIKey is ZUNOMDAAOGLRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-10-3-5-12(6-4-10)8-14-7-11(2)15-9-13/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 1-[(4-methylphenyl)methoxy]propan-2-yl formate?
1-[(4-methylphenyl)methoxy]propan-2-yl formate has a molecular weight of 208.26 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methoxy]propan-2-yl formate is sourced from PubChem (CID 58861581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).