4-(4-tert-butylphenyl)-1H-pyrrol-2-ol

C14H17NO — CID 174186244

IUPAC4-(4-tert-butylphenyl)-1H-pyrrol-2-ol
SMILESCC(C)(C)c1ccc(-c2c[nH]c(O)c2)cc1
InChIInChI=1S/C14H17NO/c1-14(2,3)12-6-4-10(5-7-12)11-8-13(16)15-9-11/h4-9,15-16H,1-3H3
InChIKeyFIUPOJKPRHAQPK-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.68
Rot. Bonds1

About 4-(4-tert-butylphenyl)-1H-pyrrol-2-ol

4-(4-tert-butylphenyl)-1H-pyrrol-2-ol (PubChem CID 174186244) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1H-pyrrol-2-ol.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1H-pyrrol-2-ol
PubChem CID174186244
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(4-tert-butylphenyl)-1H-pyrrol-2-ol
SMILESCC(C)(C)c1ccc(-c2c[nH]c(O)c2)cc1
InChIInChI=1S/C14H17NO/c1-14(2,3)12-6-4-10(5-7-12)11-8-13(16)15-9-11/h4-9,15-16H,1-3H3
InChIKeyFIUPOJKPRHAQPK-UHFFFAOYSA-N
XLogP3.68
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1H-pyrrol-2-ol?
The IUPAC name of 4-(4-tert-butylphenyl)-1H-pyrrol-2-ol (CID 174186244) is 4-(4-tert-butylphenyl)-1H-pyrrol-2-ol.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1H-pyrrol-2-ol?
The canonical SMILES for 4-(4-tert-butylphenyl)-1H-pyrrol-2-ol is CC(C)(C)c1ccc(-c2c[nH]c(O)c2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-1H-pyrrol-2-ol?
The InChIKey is FIUPOJKPRHAQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(2,3)12-6-4-10(5-7-12)11-8-13(16)15-9-11/h4-9,15-16H,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-1H-pyrrol-2-ol?
4-(4-tert-butylphenyl)-1H-pyrrol-2-ol has a molecular weight of 215.30 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1H-pyrrol-2-ol is sourced from PubChem (CID 174186244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).