4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol

C17H20O3 — CID 25150421

IUPAC4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C17H20O3/c1-10(2)15-9-14(5-6-16(15)19)20-17-11(3)7-13(18)8-12(17)4/h5-10,18-19H,1-4H3
InChIKeyFXIUUNZEZGCOKH-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.63
Rot. Bonds3

About 4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol

4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol (PubChem CID 25150421) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
PubChem CID25150421
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C17H20O3/c1-10(2)15-9-14(5-6-16(15)19)20-17-11(3)7-13(18)8-12(17)4/h5-10,18-19H,1-4H3
InChIKeyFXIUUNZEZGCOKH-UHFFFAOYSA-N
XLogP4.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol?
The IUPAC name of 4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol (CID 25150421) is 4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol.
What is the SMILES notation for 4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol?
The canonical SMILES for 4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol is Cc1cc(O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol?
The InChIKey is FXIUUNZEZGCOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-10(2)15-9-14(5-6-16(15)19)20-17-11(3)7-13(18)8-12(17)4/h5-10,18-19H,1-4H3.
What are the key properties of 4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol?
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol has a molecular weight of 272.34 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol is sourced from PubChem (CID 25150421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).