4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol

C23H40O — CID 144913920

IUPAC4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol
SMILESCCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)c1ccc(O)cc1
InChIInChI=1S/C23H40O/c1-12-19(2,3)21(6,7)23(10,11)22(8,9)20(4,5)17-13-15-18(24)16-14-17/h13-16,24H,12H2,1-11H3
InChIKeyUJUKRPIUAOJXRF-UHFFFAOYSA-N
MW332.57 g/mol
LogP7.18
Rot. Bonds6

About 4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol

4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol (PubChem CID 144913920) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol.

Molecular Properties

Compound Name4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol
PubChem CID144913920
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol
SMILESCCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)c1ccc(O)cc1
InChIInChI=1S/C23H40O/c1-12-19(2,3)21(6,7)23(10,11)22(8,9)20(4,5)17-13-15-18(24)16-14-17/h13-16,24H,12H2,1-11H3
InChIKeyUJUKRPIUAOJXRF-UHFFFAOYSA-N
XLogP7.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87864994
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CID 162056786
4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
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4-(5,5,6,6-tetramethyloctan-4-yl)phenol
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CID 137436479

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol?
The IUPAC name of 4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol (CID 144913920) is 4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol.
What is the SMILES notation for 4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol?
The canonical SMILES for 4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol is CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)c1ccc(O)cc1.
What is the InChIKey of 4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol?
The InChIKey is UJUKRPIUAOJXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-12-19(2,3)21(6,7)23(10,11)22(8,9)20(4,5)17-13-15-18(24)16-14-17/h13-16,24H,12H2,1-11H3.
What are the key properties of 4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol?
4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol has a molecular weight of 332.57 g/mol, XLogP of 7.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol is sourced from PubChem (CID 144913920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).