Levobunolol

C17H25NO3 — CID 39468

IUPAC5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)(C)NC[C@@H](COC1=CC=CC2=C1CCCC2=O)O
InChIInChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyIXHBTMCLRNMKHZ-LBPRGKRZSA-N
MW291.40 g/mol
LogP2.40
Rot. Bonds6

About Levobunolol

Levobunolol (PubChem CID 39468) has the molecular formula C17H25NO3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound NameLevobunolol
PubChem CID39468
Molecular FormulaC17H25NO3
Molecular Weight291.40 g/mol
Exact Mass291.18
IUPAC Name5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)(C)NC[C@@H](COC1=CC=CC2=C1CCCC2=O)O
InChIInChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyIXHBTMCLRNMKHZ-LBPRGKRZSA-N
XLogP2.40
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity350

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Propranolol
CID 4946
Propafenone
CID 4932
Propranolol Hydrochloride
CID 62882
Propafenone Hydrochloride
CID 36708
Dexpropranolol Hydrochloride
CID 66366
Dexpropranolol
CID 21138
(+-)-Bunolol
CID 3914
Levopropranolol
CID 91536
Levobunolol Hydrochloride
CID 5284409
Propafenone, (R)-
CID 184819
Levopropranolol hydrochloride
CID 165193
Butofilolol
CID 68838

Frequently Asked Questions

What is the IUPAC name of Levobunolol?
The IUPAC name of Levobunolol (CID 39468) is 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for Levobunolol?
The canonical SMILES for Levobunolol is CC(C)(C)NC[C@@H](COC1=CC=CC2=C1CCCC2=O)O.
What is the InChIKey of Levobunolol?
The InChIKey is IXHBTMCLRNMKHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of Levobunolol?
Levobunolol has a molecular weight of 291.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Levobunolol is sourced from PubChem (CID 39468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).