5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol

C20H19NO2 — CID 768819

IUPAC5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol
SMILESC[C@@H](Cc1ccccc1)/N=C/c1cc(-c2ccccc2)oc1O
InChIInChI=1S/C20H19NO2/c1-15(12-16-8-4-2-5-9-16)21-14-18-13-19(23-20(18)22)17-10-6-3-7-11-17/h2-11,13-15,22H,12H2,1H3/b21-14+/t15-/m0/s1
InChIKeyHMVJUAJMISRLNK-HBBMIWKISA-N
MW305.38 g/mol
LogP4.70
Rot. Bonds5

About 5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol

5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol (PubChem CID 768819) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol.

Molecular Properties

Compound Name5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol
PubChem CID768819
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol
SMILESC[C@@H](Cc1ccccc1)/N=C/c1cc(-c2ccccc2)oc1O
InChIInChI=1S/C20H19NO2/c1-15(12-16-8-4-2-5-9-16)21-14-18-13-19(23-20(18)22)17-10-6-3-7-11-17/h2-11,13-15,22H,12H2,1H3/b21-14+/t15-/m0/s1
InChIKeyHMVJUAJMISRLNK-HBBMIWKISA-N
XLogP4.70
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol?
The IUPAC name of 5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol (CID 768819) is 5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol.
What is the SMILES notation for 5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol?
The canonical SMILES for 5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol is C[C@@H](Cc1ccccc1)/N=C/c1cc(-c2ccccc2)oc1O.
What is the InChIKey of 5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol?
The InChIKey is HMVJUAJMISRLNK-HBBMIWKISA-N. The full InChI is InChI=1S/C20H19NO2/c1-15(12-16-8-4-2-5-9-16)21-14-18-13-19(23-20(18)22)17-10-6-3-7-11-17/h2-11,13-15,22H,12H2,1H3/b21-14+/t15-/m0/s1.
What are the key properties of 5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol?
5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol has a molecular weight of 305.38 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[(2S)-1-phenylpropan-2-yl]iminomethyl]furan-2-ol is sourced from PubChem (CID 768819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).