4-(4,4-dimethylpentyl)phenol

C13H20O — CID 20692467

IUPAC4-(4,4-dimethylpentyl)phenol
SMILESCC(C)(C)CCCc1ccc(O)cc1
InChIInChI=1S/C13H20O/c1-13(2,3)10-4-5-11-6-8-12(14)9-7-11/h6-9,14H,4-5,10H2,1-3H3
InChIKeySTZMIGMUTKIDCA-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.76
Rot. Bonds3

About 4-(4,4-dimethylpentyl)phenol

4-(4,4-dimethylpentyl)phenol (PubChem CID 20692467) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(4,4-dimethylpentyl)phenol.

Molecular Properties

Compound Name4-(4,4-dimethylpentyl)phenol
PubChem CID20692467
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(4,4-dimethylpentyl)phenol
SMILESCC(C)(C)CCCc1ccc(O)cc1
InChIInChI=1S/C13H20O/c1-13(2,3)10-4-5-11-6-8-12(14)9-7-11/h6-9,14H,4-5,10H2,1-3H3
InChIKeySTZMIGMUTKIDCA-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
1,4-bis(10,10-dimethylundecyl)benzene
CID 151982772
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(5,5-dimethyloctyl)phenol
CID 175139014
4-(3,3-difluorobutyl)phenol
CID 84660566
4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol
CID 86258794
2-[4-[4-(4,4-dimethylpentyl)phenyl]phenyl]ethanamine
CID 170059599
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-butylphenol;tungsten
CID 174758928
calcium;hydride;4-tetradecylphenol
CID 174582359
4-(2,7,7-trimethyloctan-2-yl)phenol
CID 141467055
calcium;hydride;4-octylphenol
CID 173256756

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpentyl)phenol?
The IUPAC name of 4-(4,4-dimethylpentyl)phenol (CID 20692467) is 4-(4,4-dimethylpentyl)phenol.
What is the SMILES notation for 4-(4,4-dimethylpentyl)phenol?
The canonical SMILES for 4-(4,4-dimethylpentyl)phenol is CC(C)(C)CCCc1ccc(O)cc1.
What is the InChIKey of 4-(4,4-dimethylpentyl)phenol?
The InChIKey is STZMIGMUTKIDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-13(2,3)10-4-5-11-6-8-12(14)9-7-11/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of 4-(4,4-dimethylpentyl)phenol?
4-(4,4-dimethylpentyl)phenol has a molecular weight of 192.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpentyl)phenol is sourced from PubChem (CID 20692467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).