(6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium

C17H15ClNO2+ — CID 3864987

IUPAC(6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium
SMILESOCC/[NH+]=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C17H14ClNO2/c18-13-6-7-16-14(10-13)15(19-8-9-20)11-17(21-16)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9H2/p+1/b19-15+
InChIKeyDXBZNHDCIGHVJL-XDJHFCHBSA-O
MW300.76 g/mol
LogP1.73
Rot. Bonds3

About (6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium

(6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium (PubChem CID 3864987) has the molecular formula C17H15ClNO2+ and a molecular weight of 300.76 g/mol. Its IUPAC name is (6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name(6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium
PubChem CID3864987
Molecular FormulaC17H15ClNO2+
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name(6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium
SMILESOCC/[NH+]=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C17H14ClNO2/c18-13-6-7-16-14(10-13)15(19-8-9-20)11-17(21-16)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9H2/p+1/b19-15+
InChIKeyDXBZNHDCIGHVJL-XDJHFCHBSA-O
XLogP1.73
TPSA47.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium?
The IUPAC name of (6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium (CID 3864987) is (6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium.
What is the SMILES notation for (6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium?
The canonical SMILES for (6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium is OCC/[NH+]=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12.
What is the InChIKey of (6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium?
The InChIKey is DXBZNHDCIGHVJL-XDJHFCHBSA-O. The full InChI is InChI=1S/C17H14ClNO2/c18-13-6-7-16-14(10-13)15(19-8-9-20)11-17(21-16)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9H2/p+1/b19-15+.
What are the key properties of (6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium?
(6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium has a molecular weight of 300.76 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-phenylchromen-4-ylidene)-(2-hydroxyethyl)azanium is sourced from PubChem (CID 3864987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).