3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol

C17H20O2 — CID 19887669

IUPAC3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol
SMILESCC(C)CCc1ccc(O)cc1-c1ccc(O)cc1
InChIInChI=1S/C17H20O2/c1-12(2)3-4-13-7-10-16(19)11-17(13)14-5-8-15(18)9-6-14/h5-12,18-19H,3-4H2,1-2H3
InChIKeyRUPJOHBKIZBKPH-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.35
Rot. Bonds4

About 3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol

3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol (PubChem CID 19887669) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol
PubChem CID19887669
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol
SMILESCC(C)CCc1ccc(O)cc1-c1ccc(O)cc1
InChIInChI=1S/C17H20O2/c1-12(2)3-4-13-7-10-16(19)11-17(13)14-5-8-15(18)9-6-14/h5-12,18-19H,3-4H2,1-2H3
InChIKeyRUPJOHBKIZBKPH-UHFFFAOYSA-N
XLogP4.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol?
The IUPAC name of 3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol (CID 19887669) is 3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol?
The canonical SMILES for 3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol is CC(C)CCc1ccc(O)cc1-c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol?
The InChIKey is RUPJOHBKIZBKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(2)3-4-13-7-10-16(19)11-17(13)14-5-8-15(18)9-6-14/h5-12,18-19H,3-4H2,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol?
3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol has a molecular weight of 256.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol is sourced from PubChem (CID 19887669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).