6-butyl-2-tert-butyl-3-methylphenol

C15H24O — CID 154177519

IUPAC6-butyl-2-tert-butyl-3-methylphenol
SMILESCCCCc1ccc(C)c(C(C)(C)C)c1O
InChIInChI=1S/C15H24O/c1-6-7-8-12-10-9-11(2)13(14(12)16)15(3,4)5/h9-10,16H,6-8H2,1-5H3
InChIKeyKIGPVMPEXSMRHS-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.34
Rot. Bonds3

About 6-butyl-2-tert-butyl-3-methylphenol

6-butyl-2-tert-butyl-3-methylphenol (PubChem CID 154177519) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-butyl-2-tert-butyl-3-methylphenol.

Molecular Properties

Compound Name6-butyl-2-tert-butyl-3-methylphenol
PubChem CID154177519
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-butyl-2-tert-butyl-3-methylphenol
SMILESCCCCc1ccc(C)c(C(C)(C)C)c1O
InChIInChI=1S/C15H24O/c1-6-7-8-12-10-9-11(2)13(14(12)16)15(3,4)5/h9-10,16H,6-8H2,1-5H3
InChIKeyKIGPVMPEXSMRHS-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-butyl-2-tert-butyl-3-methylphenol 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

2,3-ditert-butyl-6-octylphenol
CID 101292747
2,3-dibutyl-6-methylphenol;manganese
CID 174911131
2,3-dimethyl-6-octylphenol
CID 141122420
2,6-dimethyl-3-pentylphenol
CID 22762210
2,3-ditert-butyl-4-heptylphenol
CID 141294760
2-methyl-6-undecylphenol
CID 174998801
1,2,3,4-tetrabutylbenzene
CID 11220391
2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol
CID 141434807
2-tert-butyl-3-nonylphenol
CID 150872346
butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane
CID 68740938
3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol
CID 117279140
2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol
CID 151086518

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-tert-butyl-3-methylphenol?
The IUPAC name of 6-butyl-2-tert-butyl-3-methylphenol (CID 154177519) is 6-butyl-2-tert-butyl-3-methylphenol.
What is the SMILES notation for 6-butyl-2-tert-butyl-3-methylphenol?
The canonical SMILES for 6-butyl-2-tert-butyl-3-methylphenol is CCCCc1ccc(C)c(C(C)(C)C)c1O.
What is the InChIKey of 6-butyl-2-tert-butyl-3-methylphenol?
The InChIKey is KIGPVMPEXSMRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-7-8-12-10-9-11(2)13(14(12)16)15(3,4)5/h9-10,16H,6-8H2,1-5H3.
What are the key properties of 6-butyl-2-tert-butyl-3-methylphenol?
6-butyl-2-tert-butyl-3-methylphenol has a molecular weight of 220.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-tert-butyl-3-methylphenol is sourced from PubChem (CID 154177519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).