2,3-dimethyl-6-octylphenol

C16H26O — CID 141122420

IUPAC2,3-dimethyl-6-octylphenol
SMILESCCCCCCCCc1ccc(C)c(C)c1O
InChIInChI=1S/C16H26O/c1-4-5-6-7-8-9-10-15-12-11-13(2)14(3)16(15)17/h11-12,17H,4-10H2,1-3H3
InChIKeyIYXMVKBAOXCTRU-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.91
Rot. Bonds7

About 2,3-dimethyl-6-octylphenol

2,3-dimethyl-6-octylphenol (PubChem CID 141122420) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2,3-dimethyl-6-octylphenol.

Molecular Properties

Compound Name2,3-dimethyl-6-octylphenol
PubChem CID141122420
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2,3-dimethyl-6-octylphenol
SMILESCCCCCCCCc1ccc(C)c(C)c1O
InChIInChI=1S/C16H26O/c1-4-5-6-7-8-9-10-15-12-11-13(2)14(3)16(15)17/h11-12,17H,4-10H2,1-3H3
InChIKeyIYXMVKBAOXCTRU-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-3-pentylphenol
CID 22762210
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687
2-methyl-6-undecylphenol
CID 174998801
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
azane;(3,4-dimethyl-2-octylphenyl)methanol
CID 67252247
2,3-dimethyl-6-tridecylbenzenesulfonic acid
CID 14205936
3-methyl-4-octylphenol
CID 67863636
1-(bromomethyl)-2-hexadecyl-3,4-dimethylbenzene
CID 70008844
2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
3,4-diheptyl-2-hexylphenol
CID 66866250
3-hexyl-4-methylbenzene-1,2-diol
CID 174877498
2,3-dibutyl-6-methylphenol;manganese
CID 174911131

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-octylphenol?
The IUPAC name of 2,3-dimethyl-6-octylphenol (CID 141122420) is 2,3-dimethyl-6-octylphenol.
What is the SMILES notation for 2,3-dimethyl-6-octylphenol?
The canonical SMILES for 2,3-dimethyl-6-octylphenol is CCCCCCCCc1ccc(C)c(C)c1O.
What is the InChIKey of 2,3-dimethyl-6-octylphenol?
The InChIKey is IYXMVKBAOXCTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-4-5-6-7-8-9-10-15-12-11-13(2)14(3)16(15)17/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-octylphenol?
2,3-dimethyl-6-octylphenol has a molecular weight of 234.38 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-octylphenol is sourced from PubChem (CID 141122420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).