4-(3,5-dimethyloctyl)phenol

C16H26O — CID 174906830

IUPAC4-(3,5-dimethyloctyl)phenol
SMILESCCCC(C)CC(C)CCc1ccc(O)cc1
InChIInChI=1S/C16H26O/c1-4-5-13(2)12-14(3)6-7-15-8-10-16(17)11-9-15/h8-11,13-14,17H,4-7,12H2,1-3H3
InChIKeyROODQVVNWQMBLG-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.79
Rot. Bonds7

About 4-(3,5-dimethyloctyl)phenol

4-(3,5-dimethyloctyl)phenol (PubChem CID 174906830) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 4-(3,5-dimethyloctyl)phenol.

Molecular Properties

Compound Name4-(3,5-dimethyloctyl)phenol
PubChem CID174906830
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name4-(3,5-dimethyloctyl)phenol
SMILESCCCC(C)CC(C)CCc1ccc(O)cc1
InChIInChI=1S/C16H26O/c1-4-5-13(2)12-14(3)6-7-15-8-10-16(17)11-9-15/h8-11,13-14,17H,4-7,12H2,1-3H3
InChIKeyROODQVVNWQMBLG-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3,5-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

4-(3-methylpentyl)phenol
CID 57225129
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
1-(4-hydroxyphenyl)heptane-3,4-diol
CID 83930457
5-(4-hydroxyphenyl)-3-methylpentanenitrile
CID 14742686
4-(4-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026692
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
4-(3-heptyldodecyl)phenol
CID 118876079
4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
4-butylphenol;tungsten
CID 174758928
4-[4-(3-methylbutyl)phenoxy]phenol
CID 10199007
4-[3-(2-methylbutan-2-ylamino)butyl]phenol
CID 43824453
4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
CID 82981079

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyloctyl)phenol?
The IUPAC name of 4-(3,5-dimethyloctyl)phenol (CID 174906830) is 4-(3,5-dimethyloctyl)phenol.
What is the SMILES notation for 4-(3,5-dimethyloctyl)phenol?
The canonical SMILES for 4-(3,5-dimethyloctyl)phenol is CCCC(C)CC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-(3,5-dimethyloctyl)phenol?
The InChIKey is ROODQVVNWQMBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-4-5-13(2)12-14(3)6-7-15-8-10-16(17)11-9-15/h8-11,13-14,17H,4-7,12H2,1-3H3.
What are the key properties of 4-(3,5-dimethyloctyl)phenol?
4-(3,5-dimethyloctyl)phenol has a molecular weight of 234.38 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyloctyl)phenol is sourced from PubChem (CID 174906830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).