2-methyl-6-undecylphenol

C18H30O — CID 174998801

IUPAC2-methyl-6-undecylphenol
SMILESCCCCCCCCCCCc1cccc(C)c1O
InChIInChI=1S/C18H30O/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18(17)19/h12-13,15,19H,3-11,14H2,1-2H3
InChIKeyQHUNYTOPPPKSCR-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.77
Rot. Bonds10

About 2-methyl-6-undecylphenol

2-methyl-6-undecylphenol (PubChem CID 174998801) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-methyl-6-undecylphenol.

Molecular Properties

Compound Name2-methyl-6-undecylphenol
PubChem CID174998801
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-methyl-6-undecylphenol
SMILESCCCCCCCCCCCc1cccc(C)c1O
InChIInChI=1S/C18H30O/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18(17)19/h12-13,15,19H,3-11,14H2,1-2H3
InChIKeyQHUNYTOPPPKSCR-UHFFFAOYSA-N
XLogP5.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.77
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-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
2-butyl-6-methylphenol;2-methylaniline
CID 70417016
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830
1,2-dihexyl-3-methylbenzene
CID 15920121
2,6-di(nonyl)phenol;4-methylphenol
CID 159290402
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
2,3-di(nonadecyl)phenol
CID 151687635
2-butyl-6-octylaniline
CID 154074002

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-undecylphenol?
The IUPAC name of 2-methyl-6-undecylphenol (CID 174998801) is 2-methyl-6-undecylphenol.
What is the SMILES notation for 2-methyl-6-undecylphenol?
The canonical SMILES for 2-methyl-6-undecylphenol is CCCCCCCCCCCc1cccc(C)c1O.
What is the InChIKey of 2-methyl-6-undecylphenol?
The InChIKey is QHUNYTOPPPKSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18(17)19/h12-13,15,19H,3-11,14H2,1-2H3.
What are the key properties of 2-methyl-6-undecylphenol?
2-methyl-6-undecylphenol has a molecular weight of 262.44 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-undecylphenol is sourced from PubChem (CID 174998801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).