4-(2,6,8-trimethylnonyl)phenol

C18H30O — CID 155208815

IUPAC4-(2,6,8-trimethylnonyl)phenol
SMILESCC(C)CC(C)CCCC(C)Cc1ccc(O)cc1
InChIInChI=1S/C18H30O/c1-14(2)12-15(3)6-5-7-16(4)13-17-8-10-18(19)11-9-17/h8-11,14-16,19H,5-7,12-13H2,1-4H3
InChIKeyAREHMALIODIDEQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.42
Rot. Bonds8

About 4-(2,6,8-trimethylnonyl)phenol

4-(2,6,8-trimethylnonyl)phenol (PubChem CID 155208815) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(2,6,8-trimethylnonyl)phenol.

Molecular Properties

Compound Name4-(2,6,8-trimethylnonyl)phenol
PubChem CID155208815
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name4-(2,6,8-trimethylnonyl)phenol
SMILESCC(C)CC(C)CCCC(C)Cc1ccc(O)cc1
InChIInChI=1S/C18H30O/c1-14(2)12-15(3)6-5-7-16(4)13-17-8-10-18(19)11-9-17/h8-11,14-16,19H,5-7,12-13H2,1-4H3
InChIKeyAREHMALIODIDEQ-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
4-(5-ethoxy-2-methylpentyl)phenol
CID 174733302
4-(2-amino-4-methylpentyl)phenol
CID 62754924
4-[(7S,11R)-2-(4-hydroxyphenyl)-7,11,15-trimethylhexadecyl]phenol
CID 59780438
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
4-(6,10,14-trimethylpentadecyl)phenol
CID 152684433
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-(4-cyclopentyloxy-2-methylbutyl)phenol
CID 174631344
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
4-(4,6-dimethylheptan-2-yl)phenol
CID 6427088
1-(2,8-dimethylnonyl)-4-fluorobenzene
CID 162726877

Frequently Asked Questions

What is the IUPAC name of 4-(2,6,8-trimethylnonyl)phenol?
The IUPAC name of 4-(2,6,8-trimethylnonyl)phenol (CID 155208815) is 4-(2,6,8-trimethylnonyl)phenol.
What is the SMILES notation for 4-(2,6,8-trimethylnonyl)phenol?
The canonical SMILES for 4-(2,6,8-trimethylnonyl)phenol is CC(C)CC(C)CCCC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-(2,6,8-trimethylnonyl)phenol?
The InChIKey is AREHMALIODIDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-14(2)12-15(3)6-5-7-16(4)13-17-8-10-18(19)11-9-17/h8-11,14-16,19H,5-7,12-13H2,1-4H3.
What are the key properties of 4-(2,6,8-trimethylnonyl)phenol?
4-(2,6,8-trimethylnonyl)phenol has a molecular weight of 262.44 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6,8-trimethylnonyl)phenol is sourced from PubChem (CID 155208815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).