2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol

C24H42O2 — CID 87421639

IUPAC2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol
SMILESCCCCCCCCCCOCc1cc(C(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O2/c1-7-8-9-10-11-12-13-14-15-26-18-20-16-21(19(2)3)23(25)22(17-20)24(4,5)6/h16-17,19,25H,7-15,18H2,1-6H3
InChIKeyBAAQVODGDTVFPI-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.47
Rot. Bonds12

About 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol

2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol (PubChem CID 87421639) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol
PubChem CID87421639
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol
SMILESCCCCCCCCCCOCc1cc(C(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O2/c1-7-8-9-10-11-12-13-14-15-26-18-20-16-21(19(2)3)23(25)22(17-20)24(4,5)6/h16-17,19,25H,7-15,18H2,1-6H3
InChIKeyBAAQVODGDTVFPI-UHFFFAOYSA-N
XLogP7.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol 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-tert-butyl-4-(hexadecoxymethyl)-6-methylphenol
CID 87421552
2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol
CID 139750570
2-[(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)methyl]tridecanoic acid
CID 118862134
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)octyl]-6-propan-2-ylphenol
CID 139968357
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dioctyl phosphate
CID 140986607
(3,5-ditert-butyl-4-hydroxyphenyl)methyl octadecyl hydrogen phosphate
CID 14274930
2,6-ditert-butyl-4-(didodecoxyphosphorylmethyl)phenol
CID 23358457
4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol
CID 19868288
2,6-ditert-butyl-4-decoxyphenol
CID 18417198
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-octadecoxybutanoic acid
CID 54222342
hexyl 4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-methylbutanoate
CID 174248124
dodecyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate
CID 152708810

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol?
The IUPAC name of 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol (CID 87421639) is 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol.
What is the SMILES notation for 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol?
The canonical SMILES for 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol is CCCCCCCCCCOCc1cc(C(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol?
The InChIKey is BAAQVODGDTVFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-7-8-9-10-11-12-13-14-15-26-18-20-16-21(19(2)3)23(25)22(17-20)24(4,5)6/h16-17,19,25H,7-15,18H2,1-6H3.
What are the key properties of 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol?
2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol has a molecular weight of 362.60 g/mol, XLogP of 7.47, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol is sourced from PubChem (CID 87421639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).