Nadolol

C17H27NO4 — CID 39147

IUPAC(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
SMILESCC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O
InChIInChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
InChIKeyVWPOSFSPZNDTMJ-UCWKZMIHSA-N
MW309.40 g/mol
LogP0.70
Rot. Bonds6

About Nadolol

Nadolol (PubChem CID 39147) has the molecular formula C17H27NO4 and a molecular weight of 309.40 g/mol. Its IUPAC name is (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.

Molecular Properties

Compound NameNadolol
PubChem CID39147
Molecular FormulaC17H27NO4
Molecular Weight309.40 g/mol
Exact Mass309.19
IUPAC Name(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
SMILESCC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O
InChIInChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
InChIKeyVWPOSFSPZNDTMJ-UCWKZMIHSA-N
XLogP0.70
TPSA82.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity344

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Nadolol?
The IUPAC name of Nadolol (CID 39147) is (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.
What is the SMILES notation for Nadolol?
The canonical SMILES for Nadolol is CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O.
What is the InChIKey of Nadolol?
The InChIKey is VWPOSFSPZNDTMJ-UCWKZMIHSA-N. The full InChI is InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1.
What are the key properties of Nadolol?
Nadolol has a molecular weight of 309.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Nadolol is sourced from PubChem (CID 39147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).