3-(4-tert-butylphenyl)propan-1-ol

C13H20O — CID 15271904

IUPAC3-(4-tert-butylphenyl)propan-1-ol
SMILESCC(C)(C)c1ccc(CCCO)cc1
InChIInChI=1S/C13H20O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-9,14H,4-5,10H2,1-3H3
InChIKeyQFIGRGCEUZQJNG-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.91
Rot. Bonds3

About 3-(4-tert-butylphenyl)propan-1-ol

3-(4-tert-butylphenyl)propan-1-ol (PubChem CID 15271904) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)propan-1-ol
PubChem CID15271904
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-(4-tert-butylphenyl)propan-1-ol
SMILESCC(C)(C)c1ccc(CCCO)cc1
InChIInChI=1S/C13H20O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-9,14H,4-5,10H2,1-3H3
InChIKeyQFIGRGCEUZQJNG-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)propan-1-ol?
The IUPAC name of 3-(4-tert-butylphenyl)propan-1-ol (CID 15271904) is 3-(4-tert-butylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-tert-butylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-tert-butylphenyl)propan-1-ol is CC(C)(C)c1ccc(CCCO)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)propan-1-ol?
The InChIKey is QFIGRGCEUZQJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)propan-1-ol?
3-(4-tert-butylphenyl)propan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)propan-1-ol is sourced from PubChem (CID 15271904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).