2-[2-(hydroxymethyl)butyl]phenol

C11H16O2 — CID 115015673

IUPAC2-[2-(hydroxymethyl)butyl]phenol
SMILESCCC(CO)Cc1ccccc1O
InChIInChI=1S/C11H16O2/c1-2-9(8-12)7-10-5-3-4-6-11(10)13/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyWRDJETZDYHFPQH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds4

About 2-[2-(hydroxymethyl)butyl]phenol

2-[2-(hydroxymethyl)butyl]phenol (PubChem CID 115015673) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)butyl]phenol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)butyl]phenol
PubChem CID115015673
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[2-(hydroxymethyl)butyl]phenol
SMILESCCC(CO)Cc1ccccc1O
InChIInChI=1S/C11H16O2/c1-2-9(8-12)7-10-5-3-4-6-11(10)13/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyWRDJETZDYHFPQH-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-fluoro-3-hydroxypropyl)phenol
CID 105434416
2-(3-hydroxy-2-methoxypropyl)phenol
CID 105440000
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
2-(2-hydroxy-3-methylbutyl)phenol
CID 130034512
benzene;2-ethylphenol
CID 159726745
2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol
CID 106870597
2-(2-methylhexyl)phenol
CID 70468814
2-(2,3-diaminobutyl)phenol
CID 134347246
2-(2-isocyanopropyl)phenol
CID 105431640
[[3-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]propyl]hydrazinylidene]cobalt
CID 141322472

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)butyl]phenol?
The IUPAC name of 2-[2-(hydroxymethyl)butyl]phenol (CID 115015673) is 2-[2-(hydroxymethyl)butyl]phenol.
What is the SMILES notation for 2-[2-(hydroxymethyl)butyl]phenol?
The canonical SMILES for 2-[2-(hydroxymethyl)butyl]phenol is CCC(CO)Cc1ccccc1O.
What is the InChIKey of 2-[2-(hydroxymethyl)butyl]phenol?
The InChIKey is WRDJETZDYHFPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-9(8-12)7-10-5-3-4-6-11(10)13/h3-6,9,12-13H,2,7-8H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)butyl]phenol?
2-[2-(hydroxymethyl)butyl]phenol has a molecular weight of 180.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)butyl]phenol is sourced from PubChem (CID 115015673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).