2,6-dimethyl-4-octadecylphenol

C26H46O — CID 66619575

IUPAC2,6-dimethyl-4-octadecylphenol
SMILESCCCCCCCCCCCCCCCCCCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C26H46O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23(2)26(27)24(3)22-25/h21-22,27H,4-20H2,1-3H3
InChIKeyLXCRGKSMYMVBKJ-UHFFFAOYSA-N
MW374.65 g/mol
LogP8.81
Rot. Bonds17

About 2,6-dimethyl-4-octadecylphenol

2,6-dimethyl-4-octadecylphenol (PubChem CID 66619575) has the molecular formula C26H46O and a molecular weight of 374.65 g/mol. Its IUPAC name is 2,6-dimethyl-4-octadecylphenol.

Molecular Properties

Compound Name2,6-dimethyl-4-octadecylphenol
PubChem CID66619575
Molecular FormulaC26H46O
Molecular Weight374.65 g/mol
Exact Mass374.35
IUPAC Name2,6-dimethyl-4-octadecylphenol
SMILESCCCCCCCCCCCCCCCCCCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C26H46O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23(2)26(27)24(3)22-25/h21-22,27H,4-20H2,1-3H3
InChIKeyLXCRGKSMYMVBKJ-UHFFFAOYSA-N
XLogP8.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 58.81
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

4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-pentylphenol
CID 22625507
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
4-(3-dodecylsulfanylpropyl)-2,6-dimethylphenol
CID 91051445
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900
4-[9-(4-hydroxy-3-methyl-5-propylphenyl)nonyl]-2-methyl-6-propylphenol
CID 57052930
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
2,4,6-triheptylphenol
CID 139692303
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-octadecylphenol?
The IUPAC name of 2,6-dimethyl-4-octadecylphenol (CID 66619575) is 2,6-dimethyl-4-octadecylphenol.
What is the SMILES notation for 2,6-dimethyl-4-octadecylphenol?
The canonical SMILES for 2,6-dimethyl-4-octadecylphenol is CCCCCCCCCCCCCCCCCCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-octadecylphenol?
The InChIKey is LXCRGKSMYMVBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23(2)26(27)24(3)22-25/h21-22,27H,4-20H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-octadecylphenol?
2,6-dimethyl-4-octadecylphenol has a molecular weight of 374.65 g/mol, XLogP of 8.81, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-octadecylphenol is sourced from PubChem (CID 66619575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).