4-[(1R)-1-hydroxyethyl]benzonitrile

C9H9NO — CID 11105510

IUPAC4-[(1R)-1-hydroxyethyl]benzonitrile
SMILESC[C@@H](O)c1ccc(C#N)cc1
InChIInChI=1S/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3/t7-/m1/s1
InChIKeyXGAVOODMMBMCKV-SSDOTTSWSA-N
MW147.18 g/mol
LogP1.61
Rot. Bonds1

About 4-[(1R)-1-hydroxyethyl]benzonitrile

4-[(1R)-1-hydroxyethyl]benzonitrile (PubChem CID 11105510) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R)-1-hydroxyethyl]benzonitrile
PubChem CID11105510
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4-[(1R)-1-hydroxyethyl]benzonitrile
SMILESC[C@@H](O)c1ccc(C#N)cc1
InChIInChI=1S/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3/t7-/m1/s1
InChIKeyXGAVOODMMBMCKV-SSDOTTSWSA-N
XLogP1.61
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[(1R)-1-hydroxyethyl]benzonitrile (CID 11105510) is 4-[(1R)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[(1R)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[(1R)-1-hydroxyethyl]benzonitrile is C[C@@H](O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(1R)-1-hydroxyethyl]benzonitrile?
The InChIKey is XGAVOODMMBMCKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-hydroxyethyl]benzonitrile?
4-[(1R)-1-hydroxyethyl]benzonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 11105510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).