4-(4-tert-butylphenyl)but-3-en-2-ol

C14H20O — CID 139612527

IUPAC4-(4-tert-butylphenyl)but-3-en-2-ol
SMILESCC(O)C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20O/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4/h5-11,15H,1-4H3
InChIKeyZODFOGLFVCJGOR-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.38
Rot. Bonds2

About 4-(4-tert-butylphenyl)but-3-en-2-ol

4-(4-tert-butylphenyl)but-3-en-2-ol (PubChem CID 139612527) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)but-3-en-2-ol.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)but-3-en-2-ol
PubChem CID139612527
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-(4-tert-butylphenyl)but-3-en-2-ol
SMILESCC(O)C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20O/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4/h5-11,15H,1-4H3
InChIKeyZODFOGLFVCJGOR-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cinnamyl Alcohol
CID 5315892
3-Phenylprop-2-En-1-Ol
CID 308
4-Phenylbut-3-en-2-ol
CID 15172
(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
alpha-Methylcinnamic alcohol
CID 6393846
Dimethyl phenylbutanol
CID 99870
Bisacumol
CID 5315469
p-tert-Butylphenethyl alcohol
CID 79410
Benzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-
CID 92013
4-tert-Butylbenzyl alcohol
CID 13416
2-Methyl-3-phenyl-2-propen-1-ol
CID 560879

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)but-3-en-2-ol?
The IUPAC name of 4-(4-tert-butylphenyl)but-3-en-2-ol (CID 139612527) is 4-(4-tert-butylphenyl)but-3-en-2-ol.
What is the SMILES notation for 4-(4-tert-butylphenyl)but-3-en-2-ol?
The canonical SMILES for 4-(4-tert-butylphenyl)but-3-en-2-ol is CC(O)C=Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)but-3-en-2-ol?
The InChIKey is ZODFOGLFVCJGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4/h5-11,15H,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)but-3-en-2-ol?
4-(4-tert-butylphenyl)but-3-en-2-ol has a molecular weight of 204.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)but-3-en-2-ol is sourced from PubChem (CID 139612527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).