4-(4-methylphenyl)phenol;propan-2-yl formate

C17H20O3 — CID 144627017

IUPAC4-(4-methylphenyl)phenol;propan-2-yl formate
SMILESCC(C)OC=O.Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H12O.C4H8O2/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-4(2)6-3-5/h2-9,14H,1H3;3-4H,1-2H3
InChIKeyOHQSNSLEFVIPTQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.94
Rot. Bonds3

About 4-(4-methylphenyl)phenol;propan-2-yl formate

4-(4-methylphenyl)phenol;propan-2-yl formate (PubChem CID 144627017) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(4-methylphenyl)phenol;propan-2-yl formate.

Molecular Properties

Compound Name4-(4-methylphenyl)phenol;propan-2-yl formate
PubChem CID144627017
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name4-(4-methylphenyl)phenol;propan-2-yl formate
SMILESCC(C)OC=O.Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H12O.C4H8O2/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-4(2)6-3-5/h2-9,14H,1H3;3-4H,1-2H3
InChIKeyOHQSNSLEFVIPTQ-UHFFFAOYSA-N
XLogP3.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
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 4-(4-methylphenyl)phenol;propan-2-yl formate?
The IUPAC name of 4-(4-methylphenyl)phenol;propan-2-yl formate (CID 144627017) is 4-(4-methylphenyl)phenol;propan-2-yl formate.
What is the SMILES notation for 4-(4-methylphenyl)phenol;propan-2-yl formate?
The canonical SMILES for 4-(4-methylphenyl)phenol;propan-2-yl formate is CC(C)OC=O.Cc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)phenol;propan-2-yl formate?
The InChIKey is OHQSNSLEFVIPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C4H8O2/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-4(2)6-3-5/h2-9,14H,1H3;3-4H,1-2H3.
What are the key properties of 4-(4-methylphenyl)phenol;propan-2-yl formate?
4-(4-methylphenyl)phenol;propan-2-yl formate has a molecular weight of 272.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)phenol;propan-2-yl formate is sourced from PubChem (CID 144627017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).