2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol

C24H42O — CID 91434310

IUPAC2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol
SMILESCCC(CCCC(C)C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O/c1-10-18(13-11-12-17(2)3)14-19-15-20(23(4,5)6)22(25)21(16-19)24(7,8)9/h15-18,25H,10-14H2,1-9H3
InChIKeyRKQPTYKMEMXCSW-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.38
Rot. Bonds7

About 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol

2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol (PubChem CID 91434310) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol
PubChem CID91434310
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol
SMILESCCC(CCCC(C)C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O/c1-10-18(13-11-12-17(2)3)14-19-15-20(23(4,5)6)22(25)21(16-19)24(7,8)9/h15-18,25H,10-14H2,1-9H3
InChIKeyRKQPTYKMEMXCSW-UHFFFAOYSA-N
XLogP7.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol 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-(2-methylpropyl)phenol
CID 161371021
2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol
CID 170163068
2,6-ditert-butyl-4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-nitropropyl]phenol
CID 88844038
2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol
CID 139750570
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentane-2,4-diol
CID 20566819
2,6-ditert-butyl-4-(3-butylheptyl)phenol;2,6-ditert-butyl-4-[8-(3,5-ditert-butyl-4-hydroxyphenyl)octyl]phenol
CID 160518697
2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol
CID 19979422
2,6-ditert-butyl-4-(3-hydroxypentyl)phenol
CID 21395972
2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol
CID 15486872
10-methylundecyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 54498839
2,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]hexanedioic acid
CID 87131736
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]docosanoic acid
CID 22402800

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol (CID 91434310) is 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol is CCC(CCCC(C)C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol?
The InChIKey is RKQPTYKMEMXCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-10-18(13-11-12-17(2)3)14-19-15-20(23(4,5)6)22(25)21(16-19)24(7,8)9/h15-18,25H,10-14H2,1-9H3.
What are the key properties of 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol?
2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol has a molecular weight of 346.60 g/mol, XLogP of 7.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol is sourced from PubChem (CID 91434310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).