2-decyl-3,4,5-trimethylphenol

C19H32O — CID 151136943

IUPAC2-decyl-3,4,5-trimethylphenol
SMILESCCCCCCCCCCc1c(O)cc(C)c(C)c1C
InChIInChI=1S/C19H32O/c1-5-6-7-8-9-10-11-12-13-18-17(4)16(3)15(2)14-19(18)20/h14,20H,5-13H2,1-4H3
InChIKeyMVJWNTGFOBYNPU-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.00
Rot. Bonds9

About 2-decyl-3,4,5-trimethylphenol

2-decyl-3,4,5-trimethylphenol (PubChem CID 151136943) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-decyl-3,4,5-trimethylphenol.

Molecular Properties

Compound Name2-decyl-3,4,5-trimethylphenol
PubChem CID151136943
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name2-decyl-3,4,5-trimethylphenol
SMILESCCCCCCCCCCc1c(O)cc(C)c(C)c1C
InChIInChI=1S/C19H32O/c1-5-6-7-8-9-10-11-12-13-18-17(4)16(3)15(2)14-19(18)20/h14,20H,5-13H2,1-4H3
InChIKeyMVJWNTGFOBYNPU-UHFFFAOYSA-N
XLogP6.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.00
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-methyl-3-octylbenzene-1,4-diol
CID 67742656
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
2,3,4,5-tetradodecylphenol
CID 21465809
4-chloro-5-methyl-2-nonylbenzene-1,3-diol;formaldehyde
CID 174497632
2,3-dihexylbenzene-1,4-diol
CID 69329716
1-decyl-2,3,4,5-tetramethylbenzene
CID 150356555
2-methyl-4-octadecylphenol
CID 3022311
2,3,5-tri(nonyl)benzene-1,4-diol
CID 139946381
3-ethyl-4-methyl-2-nonylphenol
CID 66865942
2,3,5-triheptylbenzene-1,4-diol
CID 139946372
2-hexyl-3,5,6-trimethylbenzene-1,4-diol
CID 54410665
2-hexyl-3-methylphenol
CID 28322

Frequently Asked Questions

What is the IUPAC name of 2-decyl-3,4,5-trimethylphenol?
The IUPAC name of 2-decyl-3,4,5-trimethylphenol (CID 151136943) is 2-decyl-3,4,5-trimethylphenol.
What is the SMILES notation for 2-decyl-3,4,5-trimethylphenol?
The canonical SMILES for 2-decyl-3,4,5-trimethylphenol is CCCCCCCCCCc1c(O)cc(C)c(C)c1C.
What is the InChIKey of 2-decyl-3,4,5-trimethylphenol?
The InChIKey is MVJWNTGFOBYNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-5-6-7-8-9-10-11-12-13-18-17(4)16(3)15(2)14-19(18)20/h14,20H,5-13H2,1-4H3.
What are the key properties of 2-decyl-3,4,5-trimethylphenol?
2-decyl-3,4,5-trimethylphenol has a molecular weight of 276.46 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3,4,5-trimethylphenol is sourced from PubChem (CID 151136943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).