2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol

C19H32O — CID 150613334

IUPAC2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol
SMILESCCC(C)c1cccc(CCC(CC)C(C)CC)c1O
InChIInChI=1S/C19H32O/c1-6-14(4)16(8-3)12-13-17-10-9-11-18(19(17)20)15(5)7-2/h9-11,14-16,20H,6-8,12-13H2,1-5H3
InChIKeyIUJFXOXTLRMBGN-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.91
Rot. Bonds8

About 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol

2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol (PubChem CID 150613334) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol.

Molecular Properties

Compound Name2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol
PubChem CID150613334
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol
SMILESCCC(C)c1cccc(CCC(CC)C(C)CC)c1O
InChIInChI=1S/C19H32O/c1-6-14(4)16(8-3)12-13-17-10-9-11-18(19(17)20)15(5)7-2/h9-11,14-16,20H,6-8,12-13H2,1-5H3
InChIKeyIUJFXOXTLRMBGN-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)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-amino-6-butan-2-ylphenol
CID 14993637
2-butan-2-yl-6-iodophenol
CID 11242844
2-ethyl-6-(1-hydroxypropan-2-yl)phenol
CID 117278483
2-(4-aminobutan-2-yl)-6-ethylphenol
CID 117284201
2-[(1S)-1-aminoethyl]-6-propylphenol
CID 130625361
2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane
CID 144742837
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
3-butan-2-yl-2-hydroxybenzonitrile
CID 67236185
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
2-butan-2-yl-6-cyclopropylphenol
CID 3058303
2,3,6-tri(butan-2-yl)phenol
CID 101292764
3-butan-2-yl-6-propan-2-ylbenzene-1,2-diol
CID 146417092

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol?
The IUPAC name of 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol (CID 150613334) is 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol.
What is the SMILES notation for 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol?
The canonical SMILES for 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol is CCC(C)c1cccc(CCC(CC)C(C)CC)c1O.
What is the InChIKey of 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol?
The InChIKey is IUJFXOXTLRMBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-6-14(4)16(8-3)12-13-17-10-9-11-18(19(17)20)15(5)7-2/h9-11,14-16,20H,6-8,12-13H2,1-5H3.
What are the key properties of 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol?
2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol has a molecular weight of 276.46 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol is sourced from PubChem (CID 150613334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).