[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium

C14H16Cl2NO2+ — CID 7425151

IUPAC[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
SMILESC[C@H](O)C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-11-3-5-14(19-11)12-6-10(15)2-4-13(12)16/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1
InChIKeyTUKUPVBGGWDOSX-VIFPVBQESA-O
MW301.19 g/mol
LogP2.70
Rot. Bonds5

About [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium

[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium (PubChem CID 7425151) has the molecular formula C14H16Cl2NO2+ and a molecular weight of 301.19 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
PubChem CID7425151
Molecular FormulaC14H16Cl2NO2+
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
SMILESC[C@H](O)C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-11-3-5-14(19-11)12-6-10(15)2-4-13(12)16/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1
InChIKeyTUKUPVBGGWDOSX-VIFPVBQESA-O
XLogP2.70
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
The IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium (CID 7425151) is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium.
What is the SMILES notation for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
The canonical SMILES for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium is C[C@H](O)C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
The InChIKey is TUKUPVBGGWDOSX-VIFPVBQESA-O. The full InChI is InChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-11-3-5-14(19-11)12-6-10(15)2-4-13(12)16/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1.
What are the key properties of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium has a molecular weight of 301.19 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium is sourced from PubChem (CID 7425151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).