4-(4-tert-butylphenyl)benzene-1,3-diol

C16H18O2 — CID 57237092

IUPAC4-(4-tert-butylphenyl)benzene-1,3-diol
SMILESCC(C)(C)c1ccc(-c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H18O2/c1-16(2,3)12-6-4-11(5-7-12)14-9-8-13(17)10-15(14)18/h4-10,17-18H,1-3H3
InChIKeyXXZZLCPWEWOODM-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.06
Rot. Bonds1

About 4-(4-tert-butylphenyl)benzene-1,3-diol

4-(4-tert-butylphenyl)benzene-1,3-diol (PubChem CID 57237092) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)benzene-1,3-diol
PubChem CID57237092
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-(4-tert-butylphenyl)benzene-1,3-diol
SMILESCC(C)(C)c1ccc(-c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H18O2/c1-16(2,3)12-6-4-11(5-7-12)14-9-8-13(17)10-15(14)18/h4-10,17-18H,1-3H3
InChIKeyXXZZLCPWEWOODM-UHFFFAOYSA-N
XLogP4.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)benzene-1,3-diol?
The IUPAC name of 4-(4-tert-butylphenyl)benzene-1,3-diol (CID 57237092) is 4-(4-tert-butylphenyl)benzene-1,3-diol.
What is the SMILES notation for 4-(4-tert-butylphenyl)benzene-1,3-diol?
The canonical SMILES for 4-(4-tert-butylphenyl)benzene-1,3-diol is CC(C)(C)c1ccc(-c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)benzene-1,3-diol?
The InChIKey is XXZZLCPWEWOODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-16(2,3)12-6-4-11(5-7-12)14-9-8-13(17)10-15(14)18/h4-10,17-18H,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)benzene-1,3-diol?
4-(4-tert-butylphenyl)benzene-1,3-diol has a molecular weight of 242.32 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)benzene-1,3-diol is sourced from PubChem (CID 57237092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).