2,6-dimethyl-4-pentylphenol

C13H20O — CID 22625507

IUPAC2,6-dimethyl-4-pentylphenol
SMILESCCCCCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C13H20O/c1-4-5-6-7-12-8-10(2)13(14)11(3)9-12/h8-9,14H,4-7H2,1-3H3
InChIKeyGARYJBCFXHQULL-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.74
Rot. Bonds4

About 2,6-dimethyl-4-pentylphenol

2,6-dimethyl-4-pentylphenol (PubChem CID 22625507) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-pentylphenol.

Molecular Properties

Compound Name2,6-dimethyl-4-pentylphenol
PubChem CID22625507
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2,6-dimethyl-4-pentylphenol
SMILESCCCCCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C13H20O/c1-4-5-6-7-12-8-10(2)13(14)11(3)9-12/h8-9,14H,4-7H2,1-3H3
InChIKeyGARYJBCFXHQULL-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

2,6-dimethyl-4-octadecylphenol
CID 66619575
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
4-(3-dodecylsulfanylpropyl)-2,6-dimethylphenol
CID 91051445
4-[9-(4-hydroxy-3-methyl-5-propylphenyl)nonyl]-2-methyl-6-propylphenol
CID 57052930
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900
5-hexylbenzene-1,2,3-triol
CID 54026211
2,6-dimethyl-4-(2-octadecylperoxyethyl)phenol
CID 20761242
2-[(3-ethyl-2-hydroxy-5-octylphenyl)methyl]-6-methyl-4-pentylphenol
CID 20741015
2-hydroxy-3-methyl-5-nonylbenzenesulfonic acid
CID 19033675
CID 175718629
CID 175718629
2,4,6-triheptylphenol
CID 139692303

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-pentylphenol?
The IUPAC name of 2,6-dimethyl-4-pentylphenol (CID 22625507) is 2,6-dimethyl-4-pentylphenol.
What is the SMILES notation for 2,6-dimethyl-4-pentylphenol?
The canonical SMILES for 2,6-dimethyl-4-pentylphenol is CCCCCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-pentylphenol?
The InChIKey is GARYJBCFXHQULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-6-7-12-8-10(2)13(14)11(3)9-12/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-pentylphenol?
2,6-dimethyl-4-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-4-pentylphenol is sourced from PubChem (CID 22625507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).