Propranolol Hydrochloride

C16H22ClNO2 — CID 62882

IUPAC1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
InChIKeyZMRUPTIKESYGQW-UHFFFAOYSA-N
MW295.80 g/mol
LogP—
Rot. Bonds6

About Propranolol Hydrochloride

Propranolol Hydrochloride (PubChem CID 62882) has the molecular formula C16H22ClNO2 and a molecular weight of 295.80 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound NamePropranolol Hydrochloride
PubChem CID62882
Molecular FormulaC16H22ClNO2
Molecular Weight295.80 g/mol
Exact Mass295.13
IUPAC Name1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
InChIKeyZMRUPTIKESYGQW-UHFFFAOYSA-N
XLogP—
TPSA41.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity257

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Propranolol Hydrochloride?
The IUPAC name of Propranolol Hydrochloride (CID 62882) is 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for Propranolol Hydrochloride?
The canonical SMILES for Propranolol Hydrochloride is CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl.
What is the InChIKey of Propranolol Hydrochloride?
The InChIKey is ZMRUPTIKESYGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H.
What are the key properties of Propranolol Hydrochloride?
Propranolol Hydrochloride has a molecular weight of 295.80 g/mol, XLogP of not available, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Propranolol Hydrochloride is sourced from PubChem (CID 62882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).