2-(2-hydroxy-3-methylbutyl)phenol

C11H16O2 — CID 130034512

IUPAC2-(2-hydroxy-3-methylbutyl)phenol
SMILESCC(C)C(O)Cc1ccccc1O
InChIInChI=1S/C11H16O2/c1-8(2)11(13)7-9-5-3-4-6-10(9)12/h3-6,8,11-13H,7H2,1-2H3
InChIKeyMCNWEQJTSVUNQD-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds3

About 2-(2-hydroxy-3-methylbutyl)phenol

2-(2-hydroxy-3-methylbutyl)phenol (PubChem CID 130034512) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylbutyl)phenol.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylbutyl)phenol
PubChem CID130034512
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(2-hydroxy-3-methylbutyl)phenol
SMILESCC(C)C(O)Cc1ccccc1O
InChIInChI=1S/C11H16O2/c1-8(2)11(13)7-9-5-3-4-6-10(9)12/h3-6,8,11-13H,7H2,1-2H3
InChIKeyMCNWEQJTSVUNQD-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropyl)phenol;propane
CID 158609255
2-(2,3-diaminobutyl)phenol
CID 134347246
2-(2-isocyanopropyl)phenol
CID 105431640
2-(2-methylsulfonylpropyl)phenol
CID 115028803
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol
CID 154087711
N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 111662196
2-(2-methylhexyl)phenol
CID 70468814
2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid
CID 114331355
benzene-1,2-diol;propan-2-ol
CID 144664669
2-[2-(hydroxymethyl)butyl]phenol
CID 115015673
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylbutyl)phenol?
The IUPAC name of 2-(2-hydroxy-3-methylbutyl)phenol (CID 130034512) is 2-(2-hydroxy-3-methylbutyl)phenol.
What is the SMILES notation for 2-(2-hydroxy-3-methylbutyl)phenol?
The canonical SMILES for 2-(2-hydroxy-3-methylbutyl)phenol is CC(C)C(O)Cc1ccccc1O.
What is the InChIKey of 2-(2-hydroxy-3-methylbutyl)phenol?
The InChIKey is MCNWEQJTSVUNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)11(13)7-9-5-3-4-6-10(9)12/h3-6,8,11-13H,7H2,1-2H3.
What are the key properties of 2-(2-hydroxy-3-methylbutyl)phenol?
2-(2-hydroxy-3-methylbutyl)phenol has a molecular weight of 180.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methylbutyl)phenol is sourced from PubChem (CID 130034512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).