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

C13H20O — CID 3279311

IUPAC1-(4-tert-butylphenyl)propan-1-ol
SMILESCCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H20O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9,12,14H,5H2,1-4H3
InChIKeyWDEYOAWQRAMQJS-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.43
Rot. Bonds2

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

1-(4-tert-butylphenyl)propan-1-ol (PubChem CID 3279311) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)propan-1-ol
PubChem CID3279311
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(4-tert-butylphenyl)propan-1-ol
SMILESCCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H20O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9,12,14H,5H2,1-4H3
InChIKeyWDEYOAWQRAMQJS-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
CID 63426874
1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
CID 174900127
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol
CID 101386352
1-phenylpropan-1-ol;2-phenylpropan-2-ol
CID 174769511

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)propan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)propan-1-ol (CID 3279311) is 1-(4-tert-butylphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)propan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)propan-1-ol is CCC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)propan-1-ol?
The InChIKey is WDEYOAWQRAMQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9,12,14H,5H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)propan-1-ol?
1-(4-tert-butylphenyl)propan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)propan-1-ol is sourced from PubChem (CID 3279311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).