2-tert-butyl-4-tetradecoxyphenol

C24H42O2 — CID 19014137

IUPAC2-tert-butyl-4-tetradecoxyphenol
SMILESCCCCCCCCCCCCCCOc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-26-21-17-18-23(25)22(20-21)24(2,3)4/h17-18,20,25H,5-16,19H2,1-4H3
InChIKeyBVVQJINXOFZLFH-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.77
Rot. Bonds14

About 2-tert-butyl-4-tetradecoxyphenol

2-tert-butyl-4-tetradecoxyphenol (PubChem CID 19014137) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-tert-butyl-4-tetradecoxyphenol.

Molecular Properties

Compound Name2-tert-butyl-4-tetradecoxyphenol
PubChem CID19014137
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2-tert-butyl-4-tetradecoxyphenol
SMILESCCCCCCCCCCCCCCOc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-26-21-17-18-23(25)22(20-21)24(2,3)4/h17-18,20,25H,5-16,19H2,1-4H3
InChIKeyBVVQJINXOFZLFH-UHFFFAOYSA-N
XLogP7.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate
CID 20717503
4-hexoxybenzene-1,2-diol
CID 23459322
N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide
CID 57162261
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
2,6-ditert-butyl-4-decoxyphenol
CID 18417198
(2-tert-butyl-4-octoxyphenyl)-phenylmethanone
CID 151939018
5-dodecoxy-2-(trifluoromethyl)phenol
CID 169297983
2-butyl-4-dodecoxyphenol
CID 70607238
octadecyl 2-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 88541512
1,2-bis(5-decoxy-2-hydroxyphenyl)ethane-1,2-dione
CID 11757389
octyl 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate
CID 151797851
heptyl 2-(3-tert-butyl-4-hydroxyphenyl)butanoate
CID 87147637

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-tetradecoxyphenol?
The IUPAC name of 2-tert-butyl-4-tetradecoxyphenol (CID 19014137) is 2-tert-butyl-4-tetradecoxyphenol.
What is the SMILES notation for 2-tert-butyl-4-tetradecoxyphenol?
The canonical SMILES for 2-tert-butyl-4-tetradecoxyphenol is CCCCCCCCCCCCCCOc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-tetradecoxyphenol?
The InChIKey is BVVQJINXOFZLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-26-21-17-18-23(25)22(20-21)24(2,3)4/h17-18,20,25H,5-16,19H2,1-4H3.
What are the key properties of 2-tert-butyl-4-tetradecoxyphenol?
2-tert-butyl-4-tetradecoxyphenol has a molecular weight of 362.60 g/mol, XLogP of 7.77, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-tetradecoxyphenol is sourced from PubChem (CID 19014137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).