(6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium

C20H19ClNO2+ — CID 3253752

IUPAC(6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium
SMILESClc1ccc2oc(-c3ccccc3)c/c(=[NH+]\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/p+1/b22-18+
InChIKeyBPXYYHNYOVWVCL-RELWKKBWSA-O
MW340.83 g/mol
LogP2.91
Rot. Bonds3

About (6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium

(6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium (PubChem CID 3253752) has the molecular formula C20H19ClNO2+ and a molecular weight of 340.83 g/mol. Its IUPAC name is (6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium.

Molecular Properties

Compound Name(6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium
PubChem CID3253752
Molecular FormulaC20H19ClNO2+
Molecular Weight340.83 g/mol
Exact Mass340.11
IUPAC Name(6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium
SMILESClc1ccc2oc(-c3ccccc3)c/c(=[NH+]\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/p+1/b22-18+
InChIKeyBPXYYHNYOVWVCL-RELWKKBWSA-O
XLogP2.91
TPSA36.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium?
The IUPAC name of (6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium (CID 3253752) is (6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium.
What is the SMILES notation for (6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium?
The canonical SMILES for (6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium is Clc1ccc2oc(-c3ccccc3)c/c(=[NH+]\CC3CCCO3)c2c1.
What is the InChIKey of (6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium?
The InChIKey is BPXYYHNYOVWVCL-RELWKKBWSA-O. 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/p+1/b22-18+.
What are the key properties of (6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium?
(6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium has a molecular weight of 340.83 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-phenylchromen-4-ylidene)-(oxolan-2-ylmethyl)azanium is sourced from PubChem (CID 3253752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).