2,6-dimethyl-3-pentylphenol

C13H20O — CID 22762210

IUPAC2,6-dimethyl-3-pentylphenol
SMILESCCCCCc1ccc(C)c(O)c1C
InChIInChI=1S/C13H20O/c1-4-5-6-7-12-9-8-10(2)13(14)11(12)3/h8-9,14H,4-7H2,1-3H3
InChIKeyKDYGUJLXKAGMRI-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.74
Rot. Bonds4

About 2,6-dimethyl-3-pentylphenol

2,6-dimethyl-3-pentylphenol (PubChem CID 22762210) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2,6-dimethyl-3-pentylphenol.

Molecular Properties

Compound Name2,6-dimethyl-3-pentylphenol
PubChem CID22762210
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2,6-dimethyl-3-pentylphenol
SMILESCCCCCc1ccc(C)c(O)c1C
InChIInChI=1S/C13H20O/c1-4-5-6-7-12-9-8-10(2)13(14)11(12)3/h8-9,14H,4-7H2,1-3H3
InChIKeyKDYGUJLXKAGMRI-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.74
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

2,3-dimethyl-6-octylphenol
CID 141122420
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
2,3-dibutyl-6-methylphenol;manganese
CID 174911131
2-methyl-6-undecylphenol
CID 174998801
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687
4-butyl-3,6-dimethylbenzene-1,2-diol
CID 87874831
4-butyl-2,3,6-trimethylphenol
CID 91610949
3-methyl-4-octylphenol
CID 67863636
3-(2-aminooxyethyl)-2,6-dimethylphenol
CID 117278817
2,3-dimethyl-6-tridecylbenzenesulfonic acid
CID 14205936
azane;1-(chloromethyl)-2,3-dimethyl-4-octylbenzene
CID 67829862
3-hexyl-4-methylbenzene-1,2-diol
CID 174877498

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-pentylphenol?
The IUPAC name of 2,6-dimethyl-3-pentylphenol (CID 22762210) is 2,6-dimethyl-3-pentylphenol.
What is the SMILES notation for 2,6-dimethyl-3-pentylphenol?
The canonical SMILES for 2,6-dimethyl-3-pentylphenol is CCCCCc1ccc(C)c(O)c1C.
What is the InChIKey of 2,6-dimethyl-3-pentylphenol?
The InChIKey is KDYGUJLXKAGMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-6-7-12-9-8-10(2)13(14)11(12)3/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-pentylphenol?
2,6-dimethyl-3-pentylphenol has a molecular weight of 192.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-pentylphenol is sourced from PubChem (CID 22762210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).