4-(5,5,6,6-tetramethyloctan-4-yl)phenol

C18H30O — CID 22924828

IUPAC4-(5,5,6,6-tetramethyloctan-4-yl)phenol
SMILESCCCC(c1ccc(O)cc1)C(C)(C)C(C)(C)CC
InChIInChI=1S/C18H30O/c1-7-9-16(14-10-12-15(19)13-11-14)18(5,6)17(3,4)8-2/h10-13,16,19H,7-9H2,1-6H3
InChIKeyNZTFONKFAOHNMX-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.74
Rot. Bonds6

About 4-(5,5,6,6-tetramethyloctan-4-yl)phenol

4-(5,5,6,6-tetramethyloctan-4-yl)phenol (PubChem CID 22924828) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(5,5,6,6-tetramethyloctan-4-yl)phenol.

Molecular Properties

Compound Name4-(5,5,6,6-tetramethyloctan-4-yl)phenol
PubChem CID22924828
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name4-(5,5,6,6-tetramethyloctan-4-yl)phenol
SMILESCCCC(c1ccc(O)cc1)C(C)(C)C(C)(C)CC
InChIInChI=1S/C18H30O/c1-7-9-16(14-10-12-15(19)13-11-14)18(5,6)17(3,4)8-2/h10-13,16,19H,7-9H2,1-6H3
InChIKeyNZTFONKFAOHNMX-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19027394
4-(3-ethyl-3-methylhexan-2-yl)phenol
CID 91753385
4-(2,3,3,4,4,5,5,6,6-nonamethyloctan-2-yl)phenol
CID 144913920
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104
ethane;4-(1-methylsulfanylbutyl)phenol
CID 144692141
4-(1-fluoro-2,2-dimethylpropyl)phenol
CID 83855784
4-hexan-2-ylphenol
CID 12579179
4-undecan-6-ylphenol
CID 66867197
(6R,7R)-6,7-bis(4-hydroxyphenyl)-7-methylnonanal
CID 73352769
4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
CID 15597034

Frequently Asked Questions

What is the IUPAC name of 4-(5,5,6,6-tetramethyloctan-4-yl)phenol?
The IUPAC name of 4-(5,5,6,6-tetramethyloctan-4-yl)phenol (CID 22924828) is 4-(5,5,6,6-tetramethyloctan-4-yl)phenol.
What is the SMILES notation for 4-(5,5,6,6-tetramethyloctan-4-yl)phenol?
The canonical SMILES for 4-(5,5,6,6-tetramethyloctan-4-yl)phenol is CCCC(c1ccc(O)cc1)C(C)(C)C(C)(C)CC.
What is the InChIKey of 4-(5,5,6,6-tetramethyloctan-4-yl)phenol?
The InChIKey is NZTFONKFAOHNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-7-9-16(14-10-12-15(19)13-11-14)18(5,6)17(3,4)8-2/h10-13,16,19H,7-9H2,1-6H3.
What are the key properties of 4-(5,5,6,6-tetramethyloctan-4-yl)phenol?
4-(5,5,6,6-tetramethyloctan-4-yl)phenol has a molecular weight of 262.44 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5,6,6-tetramethyloctan-4-yl)phenol is sourced from PubChem (CID 22924828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).