2-(cyclobutylmethyl)phenol

C11H14O — CID 115012772

IUPAC2-(cyclobutylmethyl)phenol
SMILESOc1ccccc1CC1CCC1
InChIInChI=1S/C11H14O/c12-11-7-2-1-6-10(11)8-9-4-3-5-9/h1-2,6-7,9,12H,3-5,8H2
InChIKeyBPYITIIVXSYVTK-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.73
Rot. Bonds2

About 2-(cyclobutylmethyl)phenol

2-(cyclobutylmethyl)phenol (PubChem CID 115012772) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)phenol.

Molecular Properties

Compound Name2-(cyclobutylmethyl)phenol
PubChem CID115012772
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-(cyclobutylmethyl)phenol
SMILESOc1ccccc1CC1CCC1
InChIInChI=1S/C11H14O/c12-11-7-2-1-6-10(11)8-9-4-3-5-9/h1-2,6-7,9,12H,3-5,8H2
InChIKeyBPYITIIVXSYVTK-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopropylmethyl)phenol
CID 23014132
2-(azetidin-3-ylmethyl)phenol;hydrochloride
CID 170913706
2-(2-cyclopentylethyl)phenol
CID 57085599
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
4-(cyclopropylmethyl)naphthalen-1-ol
CID 70606669
2-(cyclohexylmethyl)naphthalen-1-ol
CID 15617835
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
2-(cyclopentylmethyl)aniline
CID 15634615
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)phenol?
The IUPAC name of 2-(cyclobutylmethyl)phenol (CID 115012772) is 2-(cyclobutylmethyl)phenol.
What is the SMILES notation for 2-(cyclobutylmethyl)phenol?
The canonical SMILES for 2-(cyclobutylmethyl)phenol is Oc1ccccc1CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)phenol?
The InChIKey is BPYITIIVXSYVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c12-11-7-2-1-6-10(11)8-9-4-3-5-9/h1-2,6-7,9,12H,3-5,8H2.
What are the key properties of 2-(cyclobutylmethyl)phenol?
2-(cyclobutylmethyl)phenol has a molecular weight of 162.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)phenol is sourced from PubChem (CID 115012772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).