2,6-ditert-butyl-4-propylphenol;methyl formate

C19H32O3 — CID 145003703

IUPAC2,6-ditert-butyl-4-propylphenol;methyl formate
SMILESCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COC=O
InChIInChI=1S/C17H28O.C2H4O2/c1-8-9-12-10-13(16(2,3)4)15(18)14(11-12)17(5,6)7;1-4-2-3/h10-11,18H,8-9H2,1-7H3;2H,1H3
InChIKeyLDSSUKPXJUDIPB-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.73
Rot. Bonds3

About 2,6-ditert-butyl-4-propylphenol;methyl formate

2,6-ditert-butyl-4-propylphenol;methyl formate (PubChem CID 145003703) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-propylphenol;methyl formate.

Molecular Properties

Compound Name2,6-ditert-butyl-4-propylphenol;methyl formate
PubChem CID145003703
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2,6-ditert-butyl-4-propylphenol;methyl formate
SMILESCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COC=O
InChIInChI=1S/C17H28O.C2H4O2/c1-8-9-12-10-13(16(2,3)4)15(18)14(11-12)17(5,6)7;1-4-2-3/h10-11,18H,8-9H2,1-7H3;2H,1H3
InChIKeyLDSSUKPXJUDIPB-UHFFFAOYSA-N
XLogP4.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-ditert-butyl-4-propylphenol;methyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-ditert-butyl-4-propylphenyl) formate
CID 123415611
4-butyl-2,6-ditert-butylphenol
CID 158079570
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;octyl formate
CID 174916179
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
CID 158878074
2-tert-butyl-6-[[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]methyliminomethyl]-4-propylphenol
CID 137103949
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
2,6-ditert-butyl-4-propylphenol;methyl 2-[4-(methylamino)phenoxy]acetate
CID 143450497
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol
CID 174446624
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
CID 3430761
2,6-ditert-butyl-4-(nitrosomethyl)phenol
CID 54100018

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-propylphenol;methyl formate?
The IUPAC name of 2,6-ditert-butyl-4-propylphenol;methyl formate (CID 145003703) is 2,6-ditert-butyl-4-propylphenol;methyl formate.
What is the SMILES notation for 2,6-ditert-butyl-4-propylphenol;methyl formate?
The canonical SMILES for 2,6-ditert-butyl-4-propylphenol;methyl formate is CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COC=O.
What is the InChIKey of 2,6-ditert-butyl-4-propylphenol;methyl formate?
The InChIKey is LDSSUKPXJUDIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O.C2H4O2/c1-8-9-12-10-13(16(2,3)4)15(18)14(11-12)17(5,6)7;1-4-2-3/h10-11,18H,8-9H2,1-7H3;2H,1H3.
What are the key properties of 2,6-ditert-butyl-4-propylphenol;methyl formate?
2,6-ditert-butyl-4-propylphenol;methyl formate has a molecular weight of 308.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-propylphenol;methyl formate is sourced from PubChem (CID 145003703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).