6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine

C20H18ClNO2 — CID 3253753

IUPAC6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine
SMILESClc1ccc2oc(-c3ccccc3)c/c(=N\CC3CCCO3)c2c1
InChIInChI=1S/C20H18ClNO2/c21-15-8-9-19-17(11-15)18(22-13-16-7-4-10-23-16)12-20(24-19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2/b22-18+
InChIKeyBPXYYHNYOVWVCL-RELWKKBWSA-N
MW339.82 g/mol
LogP4.83
Rot. Bonds3

About 6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine

6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine (PubChem CID 3253753) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine.

Molecular Properties

Compound Name6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine
PubChem CID3253753
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine
SMILESClc1ccc2oc(-c3ccccc3)c/c(=N\CC3CCCO3)c2c1
InChIInChI=1S/C20H18ClNO2/c21-15-8-9-19-17(11-15)18(22-13-16-7-4-10-23-16)12-20(24-19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2/b22-18+
InChIKeyBPXYYHNYOVWVCL-RELWKKBWSA-N
XLogP4.83
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine?
The IUPAC name of 6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine (CID 3253753) is 6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine.
What is the SMILES notation for 6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine?
The canonical SMILES for 6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine is Clc1ccc2oc(-c3ccccc3)c/c(=N\CC3CCCO3)c2c1.
What is the InChIKey of 6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine?
The InChIKey is BPXYYHNYOVWVCL-RELWKKBWSA-N. The full InChI is InChI=1S/C20H18ClNO2/c21-15-8-9-19-17(11-15)18(22-13-16-7-4-10-23-16)12-20(24-19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2/b22-18+.
What are the key properties of 6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine?
6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine has a molecular weight of 339.82 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxolan-2-ylmethyl)-2-phenylchromen-4-imine is sourced from PubChem (CID 3253753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).