1-(4-tert-butylphenyl)pentan-1-ol

C15H24O — CID 22486867

IUPAC1-(4-tert-butylphenyl)pentan-1-ol
SMILESCCCCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24O/c1-5-6-7-14(16)12-8-10-13(11-9-12)15(2,3)4/h8-11,14,16H,5-7H2,1-4H3
InChIKeyNQNJFTRTDIHLMT-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.21
Rot. Bonds4

About 1-(4-tert-butylphenyl)pentan-1-ol

1-(4-tert-butylphenyl)pentan-1-ol (PubChem CID 22486867) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)pentan-1-ol
PubChem CID22486867
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(4-tert-butylphenyl)pentan-1-ol
SMILESCCCCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24O/c1-5-6-7-14(16)12-8-10-13(11-9-12)15(2,3)4/h8-11,14,16H,5-7H2,1-4H3
InChIKeyNQNJFTRTDIHLMT-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol
CID 101386352
(1S)-1-phenylpentan-1-ol
CID 6992754
1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol
CID 63472288
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
2-(4-tert-butylphenyl)hexanenitrile
CID 164597888
(1S)-1-(4-tert-butylphenyl)hexan-1-amine
CID 28979853
ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
CID 143149816

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)pentan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)pentan-1-ol (CID 22486867) is 1-(4-tert-butylphenyl)pentan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)pentan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)pentan-1-ol is CCCCC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)pentan-1-ol?
The InChIKey is NQNJFTRTDIHLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-6-7-14(16)12-8-10-13(11-9-12)15(2,3)4/h8-11,14,16H,5-7H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)pentan-1-ol?
1-(4-tert-butylphenyl)pentan-1-ol has a molecular weight of 220.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)pentan-1-ol is sourced from PubChem (CID 22486867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).