1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile

C13H15NO — CID 84776318

IUPAC1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccc(CCO)cc2)CCC1
InChIInChI=1S/C13H15NO/c14-10-13(7-1-8-13)12-4-2-11(3-5-12)6-9-15/h2-5,15H,1,6-9H2
InChIKeyHUWBTHMZFTVGGF-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.17
Rot. Bonds3

About 1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile

1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile (PubChem CID 84776318) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile
PubChem CID84776318
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccc(CCO)cc2)CCC1
InChIInChI=1S/C13H15NO/c14-10-13(7-1-8-13)12-4-2-11(3-5-12)6-9-15/h2-5,15H,1,6-9H2
InChIKeyHUWBTHMZFTVGGF-UHFFFAOYSA-N
XLogP2.17
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(bromomethyl)phenyl]cyclopentane-1-carbonitrile
CID 54110303
2-[4-(1-aminocyclobutyl)phenyl]ethanol
CID 117112872
[4-(1-cyanocyclopentyl)phenyl]boronic acid
CID 75485914
1-(4-methylsulfonylphenyl)cyclobutane-1-carbonitrile
CID 66748522
1-[4-(1-aminoethyl)phenyl]cyclobutane-1-carbonitrile
CID 58298466
4-(2-hydroxyethyl)benzonitrile
CID 2800815
2-[4-(2-hydroxyethyl)phenyl]acetonitrile
CID 22337092
1-[4-(2,2-difluoroethylsulfanyl)phenyl]cyclobutane-1-carbonitrile
CID 84804458
5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile
CID 84774834
1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile
CID 117047053
3-chloro-1-[4-(4-propylphenyl)phenyl]cyclohexane-1-carbonitrile
CID 70446920
4-propyl-1-[4-(4-propylphenyl)phenyl]cyclohexane-1-carbonitrile
CID 18643171

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile (CID 84776318) is 1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile is N#CC1(c2ccc(CCO)cc2)CCC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile?
The InChIKey is HUWBTHMZFTVGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-10-13(7-1-8-13)12-4-2-11(3-5-12)6-9-15/h2-5,15H,1,6-9H2.
What are the key properties of 1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile?
1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 84776318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).