(4-tert-butylphenyl) formate

C11H14O2 — CID 15727718

IUPAC(4-tert-butylphenyl) formate
SMILESCC(C)(C)c1ccc(OC=O)cc1
InChIInChI=1S/C11H14O2/c1-11(2,3)9-4-6-10(7-5-9)13-8-12/h4-8H,1-3H3
InChIKeyXYISWGCHKYECBN-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.52
Rot. Bonds2

About (4-tert-butylphenyl) formate

(4-tert-butylphenyl) formate (PubChem CID 15727718) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (4-tert-butylphenyl) formate.

Molecular Properties

Compound Name(4-tert-butylphenyl) formate
PubChem CID15727718
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(4-tert-butylphenyl) formate
SMILESCC(C)(C)c1ccc(OC=O)cc1
InChIInChI=1S/C11H14O2/c1-11(2,3)9-4-6-10(7-5-9)13-8-12/h4-8H,1-3H3
InChIKeyXYISWGCHKYECBN-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(4-carboxyphenyl)-(4-formyloxyphenyl)methyl]benzoic acid
CID 162704125
[4-[2-[4-(3-methylpentan-3-yloxy)phenyl]propan-2-yl]phenyl] formate
CID 88909579
1-tert-butyl-4-[(E)-prop-1-enoxy]benzene
CID 641282
[4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate
CID 89040248
[4-(2-hydroxy-2-methylpropanoyl)phenyl] formate
CID 118441613
2-(4-tert-butylphenoxy)propanal
CID 163955562
[4-(4-methoxyphenoxy)phenyl] formate
CID 88935611
chloromethane;(4-nitrophenyl) formate
CID 143083318
λ2-plumbane;phenyl formate
CID 174910364
(4-aminophenyl) formate;4-methoxyaniline
CID 145416787
(4-prop-1-en-2-ylphenyl) formate
CID 89249503
beryllium;(4-fluorophenyl) formate;hydride
CID 174840715

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) formate?
The IUPAC name of (4-tert-butylphenyl) formate (CID 15727718) is (4-tert-butylphenyl) formate.
What is the SMILES notation for (4-tert-butylphenyl) formate?
The canonical SMILES for (4-tert-butylphenyl) formate is CC(C)(C)c1ccc(OC=O)cc1.
What is the InChIKey of (4-tert-butylphenyl) formate?
The InChIKey is XYISWGCHKYECBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2,3)9-4-6-10(7-5-9)13-8-12/h4-8H,1-3H3.
What are the key properties of (4-tert-butylphenyl) formate?
(4-tert-butylphenyl) formate has a molecular weight of 178.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) formate is sourced from PubChem (CID 15727718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).