3-[(1-fluorocyclobutyl)methyl]phenol

C11H13FO — CID 84718365

IUPAC3-[(1-fluorocyclobutyl)methyl]phenol
SMILESOc1cccc(CC2(F)CCC2)c1
InChIInChI=1S/C11H13FO/c12-11(5-2-6-11)8-9-3-1-4-10(13)7-9/h1,3-4,7,13H,2,5-6,8H2
InChIKeyPISKXWOKILIPJL-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.83
Rot. Bonds2

About 3-[(1-fluorocyclobutyl)methyl]phenol

3-[(1-fluorocyclobutyl)methyl]phenol (PubChem CID 84718365) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 3-[(1-fluorocyclobutyl)methyl]phenol.

Molecular Properties

Compound Name3-[(1-fluorocyclobutyl)methyl]phenol
PubChem CID84718365
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name3-[(1-fluorocyclobutyl)methyl]phenol
SMILESOc1cccc(CC2(F)CCC2)c1
InChIInChI=1S/C11H13FO/c12-11(5-2-6-11)8-9-3-1-4-10(13)7-9/h1,3-4,7,13H,2,5-6,8H2
InChIKeyPISKXWOKILIPJL-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(1-fluorocyclobutyl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(1-fluorocyclobutyl)methyl]phenyl]acetic acid
CID 84725013
[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722438
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine
CID 84727157
3-[[3-(bromomethyl)oxan-3-yl]methyl]phenol
CID 103744232
2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid
CID 84722633
3-[3-[(1-fluorocyclopropyl)methyl]phenyl]propanoic acid
CID 84725018
1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone
CID 84727295
4,4-difluoro-3-[(3-hydroxyphenyl)methyl]oxane-3-carboxylic acid
CID 84809806
[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722437
3-[2-(1-aminocyclopentyl)ethyl]phenol
CID 115074221
1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167827

Frequently Asked Questions

What is the IUPAC name of 3-[(1-fluorocyclobutyl)methyl]phenol?
The IUPAC name of 3-[(1-fluorocyclobutyl)methyl]phenol (CID 84718365) is 3-[(1-fluorocyclobutyl)methyl]phenol.
What is the SMILES notation for 3-[(1-fluorocyclobutyl)methyl]phenol?
The canonical SMILES for 3-[(1-fluorocyclobutyl)methyl]phenol is Oc1cccc(CC2(F)CCC2)c1.
What is the InChIKey of 3-[(1-fluorocyclobutyl)methyl]phenol?
The InChIKey is PISKXWOKILIPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c12-11(5-2-6-11)8-9-3-1-4-10(13)7-9/h1,3-4,7,13H,2,5-6,8H2.
What are the key properties of 3-[(1-fluorocyclobutyl)methyl]phenol?
3-[(1-fluorocyclobutyl)methyl]phenol has a molecular weight of 180.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-fluorocyclobutyl)methyl]phenol is sourced from PubChem (CID 84718365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).