4-(4-hydroxy-2-methoxybutan-2-yl)phenol

C11H16O3 — CID 105449928

IUPAC4-(4-hydroxy-2-methoxybutan-2-yl)phenol
SMILESCOC(C)(CCO)c1ccc(O)cc1
InChIInChI=1S/C11H16O3/c1-11(14-2,7-8-12)9-3-5-10(13)6-4-9/h3-6,12-13H,7-8H2,1-2H3
InChIKeyPMBVFBRACOXTGP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.64
Rot. Bonds4

About 4-(4-hydroxy-2-methoxybutan-2-yl)phenol

4-(4-hydroxy-2-methoxybutan-2-yl)phenol (PubChem CID 105449928) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methoxybutan-2-yl)phenol.

Molecular Properties

Compound Name4-(4-hydroxy-2-methoxybutan-2-yl)phenol
PubChem CID105449928
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-(4-hydroxy-2-methoxybutan-2-yl)phenol
SMILESCOC(C)(CCO)c1ccc(O)cc1
InChIInChI=1S/C11H16O3/c1-11(14-2,7-8-12)9-3-5-10(13)6-4-9/h3-6,12-13H,7-8H2,1-2H3
InChIKeyPMBVFBRACOXTGP-UHFFFAOYSA-N
XLogP1.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methoxybutan-2-yl)phenol?
The IUPAC name of 4-(4-hydroxy-2-methoxybutan-2-yl)phenol (CID 105449928) is 4-(4-hydroxy-2-methoxybutan-2-yl)phenol.
What is the SMILES notation for 4-(4-hydroxy-2-methoxybutan-2-yl)phenol?
The canonical SMILES for 4-(4-hydroxy-2-methoxybutan-2-yl)phenol is COC(C)(CCO)c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxy-2-methoxybutan-2-yl)phenol?
The InChIKey is PMBVFBRACOXTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-11(14-2,7-8-12)9-3-5-10(13)6-4-9/h3-6,12-13H,7-8H2,1-2H3.
What are the key properties of 4-(4-hydroxy-2-methoxybutan-2-yl)phenol?
4-(4-hydroxy-2-methoxybutan-2-yl)phenol has a molecular weight of 196.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methoxybutan-2-yl)phenol is sourced from PubChem (CID 105449928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).