(4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile

C18H20N2O — CID 144964287

IUPAC(4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile
SMILESN#CN1CCCC1.OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12O.C5H8N2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;6-5-7-3-1-2-4-7/h1-9,14H,10H2;1-4H2
InChIKeyICCQTFVFWQWWAW-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.41
Rot. Bonds2

About (4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile

(4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile (PubChem CID 144964287) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name(4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile
PubChem CID144964287
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile
SMILESN#CN1CCCC1.OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12O.C5H8N2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;6-5-7-3-1-2-4-7/h1-9,14H,10H2;1-4H2
InChIKeyICCQTFVFWQWWAW-UHFFFAOYSA-N
XLogP3.41
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile?
The IUPAC name of (4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile (CID 144964287) is (4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile.
What is the SMILES notation for (4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile?
The canonical SMILES for (4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile is N#CN1CCCC1.OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile?
The InChIKey is ICCQTFVFWQWWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C5H8N2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;6-5-7-3-1-2-4-7/h1-9,14H,10H2;1-4H2.
What are the key properties of (4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile?
(4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile is sourced from PubChem (CID 144964287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).