(5-methyl-2-propan-2-ylphenyl) formate

C11H14O2 — CID 56597779

IUPAC(5-methyl-2-propan-2-ylphenyl) formate
SMILESCc1ccc(C(C)C)c(OC=O)c1
InChIInChI=1S/C11H14O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h4-8H,1-3H3
InChIKeyIWAIRWGSZFYSES-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.65
Rot. Bonds3

About (5-methyl-2-propan-2-ylphenyl) formate

(5-methyl-2-propan-2-ylphenyl) formate (PubChem CID 56597779) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylphenyl) formate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylphenyl) formate
PubChem CID56597779
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(5-methyl-2-propan-2-ylphenyl) formate
SMILESCc1ccc(C(C)C)c(OC=O)c1
InChIInChI=1S/C11H14O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h4-8H,1-3H3
InChIKeyIWAIRWGSZFYSES-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylphenyl) formate?
The IUPAC name of (5-methyl-2-propan-2-ylphenyl) formate (CID 56597779) is (5-methyl-2-propan-2-ylphenyl) formate.
What is the SMILES notation for (5-methyl-2-propan-2-ylphenyl) formate?
The canonical SMILES for (5-methyl-2-propan-2-ylphenyl) formate is Cc1ccc(C(C)C)c(OC=O)c1.
What is the InChIKey of (5-methyl-2-propan-2-ylphenyl) formate?
The InChIKey is IWAIRWGSZFYSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h4-8H,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylphenyl) formate?
(5-methyl-2-propan-2-ylphenyl) formate has a molecular weight of 178.23 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylphenyl) formate is sourced from PubChem (CID 56597779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).