(4-propan-2-ylphenyl) 2-methoxybenzoate

C17H18O3 — CID 723927

IUPAC(4-propan-2-ylphenyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C17H18O3/c1-12(2)13-8-10-14(11-9-13)20-17(18)15-6-4-5-7-16(15)19-3/h4-12H,1-3H3
InChIKeySZUAYFDDKTZDHG-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.04
Rot. Bonds4

About (4-propan-2-ylphenyl) 2-methoxybenzoate

(4-propan-2-ylphenyl) 2-methoxybenzoate (PubChem CID 723927) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) 2-methoxybenzoate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) 2-methoxybenzoate
PubChem CID723927
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4-propan-2-ylphenyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C17H18O3/c1-12(2)13-8-10-14(11-9-13)20-17(18)15-6-4-5-7-16(15)19-3/h4-12H,1-3H3
InChIKeySZUAYFDDKTZDHG-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) 2-methoxybenzoate?
The IUPAC name of (4-propan-2-ylphenyl) 2-methoxybenzoate (CID 723927) is (4-propan-2-ylphenyl) 2-methoxybenzoate.
What is the SMILES notation for (4-propan-2-ylphenyl) 2-methoxybenzoate?
The canonical SMILES for (4-propan-2-ylphenyl) 2-methoxybenzoate is COc1ccccc1C(=O)Oc1ccc(C(C)C)cc1.
What is the InChIKey of (4-propan-2-ylphenyl) 2-methoxybenzoate?
The InChIKey is SZUAYFDDKTZDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(2)13-8-10-14(11-9-13)20-17(18)15-6-4-5-7-16(15)19-3/h4-12H,1-3H3.
What are the key properties of (4-propan-2-ylphenyl) 2-methoxybenzoate?
(4-propan-2-ylphenyl) 2-methoxybenzoate has a molecular weight of 270.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) 2-methoxybenzoate is sourced from PubChem (CID 723927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).