4-(5,5-dimethyloctyl)phenol

C16H26O — CID 175139014

IUPAC4-(5,5-dimethyloctyl)phenol
SMILESCCCC(C)(C)CCCCc1ccc(O)cc1
InChIInChI=1S/C16H26O/c1-4-12-16(2,3)13-6-5-7-14-8-10-15(17)11-9-14/h8-11,17H,4-7,12-13H2,1-3H3
InChIKeyQHUYRLBIPWXFRC-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.93
Rot. Bonds7

About 4-(5,5-dimethyloctyl)phenol

4-(5,5-dimethyloctyl)phenol (PubChem CID 175139014) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 4-(5,5-dimethyloctyl)phenol.

Molecular Properties

Compound Name4-(5,5-dimethyloctyl)phenol
PubChem CID175139014
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name4-(5,5-dimethyloctyl)phenol
SMILESCCCC(C)(C)CCCCc1ccc(O)cc1
InChIInChI=1S/C16H26O/c1-4-12-16(2,3)13-6-5-7-14-8-10-15(17)11-9-14/h8-11,17H,4-7,12-13H2,1-3H3
InChIKeyQHUYRLBIPWXFRC-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(5,5-dimethyloctyl)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

calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
calcium;4-dodecylphenol;hydride;sulfane
CID 174796411
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
tris(4-octylphenol);propane
CID 90866185
4-(4,4-dimethylpentyl)phenol
CID 20692467
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-butylphenol;tungsten
CID 174758928
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyloctyl)phenol?
The IUPAC name of 4-(5,5-dimethyloctyl)phenol (CID 175139014) is 4-(5,5-dimethyloctyl)phenol.
What is the SMILES notation for 4-(5,5-dimethyloctyl)phenol?
The canonical SMILES for 4-(5,5-dimethyloctyl)phenol is CCCC(C)(C)CCCCc1ccc(O)cc1.
What is the InChIKey of 4-(5,5-dimethyloctyl)phenol?
The InChIKey is QHUYRLBIPWXFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-4-12-16(2,3)13-6-5-7-14-8-10-15(17)11-9-14/h8-11,17H,4-7,12-13H2,1-3H3.
What are the key properties of 4-(5,5-dimethyloctyl)phenol?
4-(5,5-dimethyloctyl)phenol has a molecular weight of 234.38 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyloctyl)phenol is sourced from PubChem (CID 175139014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).