[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium

C14H17ClNO2+ — CID 7380204

IUPAC[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
SMILESC[C@H](O)C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H16ClNO2/c1-10(17)8-16-9-13-5-6-14(18-13)11-3-2-4-12(15)7-11/h2-7,10,16-17H,8-9H2,1H3/p+1/t10-/m0/s1
InChIKeyHECBAGJYBDITHX-JTQLQIEISA-O
MW266.75 g/mol
LogP2.04
Rot. Bonds5

About [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium

[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium (PubChem CID 7380204) has the molecular formula C14H17ClNO2+ and a molecular weight of 266.75 g/mol. Its IUPAC name is [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
PubChem CID7380204
Molecular FormulaC14H17ClNO2+
Molecular Weight266.75 g/mol
Exact Mass266.09
IUPAC Name[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
SMILESC[C@H](O)C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H16ClNO2/c1-10(17)8-16-9-13-5-6-14(18-13)11-3-2-4-12(15)7-11/h2-7,10,16-17H,8-9H2,1H3/p+1/t10-/m0/s1
InChIKeyHECBAGJYBDITHX-JTQLQIEISA-O
XLogP2.04
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
The IUPAC name of [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium (CID 7380204) is [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium.
What is the SMILES notation for [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
The canonical SMILES for [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium is C[C@H](O)C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
The InChIKey is HECBAGJYBDITHX-JTQLQIEISA-O. The full InChI is InChI=1S/C14H16ClNO2/c1-10(17)8-16-9-13-5-6-14(18-13)11-3-2-4-12(15)7-11/h2-7,10,16-17H,8-9H2,1H3/p+1/t10-/m0/s1.
What are the key properties of [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium has a molecular weight of 266.75 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium is sourced from PubChem (CID 7380204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).