(3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one

C29H21NO2 — CID 10884200

IUPAC(3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one
SMILESO=C1[C@H](Oc2ccccc2)[C@@H](c2ccccc2)N1c1cccc2cc3ccccc3cc12
InChIInChI=1S/C29H21NO2/c31-29-28(32-24-15-5-2-6-16-24)27(20-10-3-1-4-11-20)30(29)26-17-9-14-23-18-21-12-7-8-13-22(21)19-25(23)26/h1-19,27-28H/t27-,28-/m1/s1
InChIKeyGSXGXTVPLXRWRE-VSGBNLITSA-N
MW415.49 g/mol
LogP6.53
Rot. Bonds4

About (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one

(3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one (PubChem CID 10884200) has the molecular formula C29H21NO2 and a molecular weight of 415.49 g/mol. Its IUPAC name is (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one
PubChem CID10884200
Molecular FormulaC29H21NO2
Molecular Weight415.49 g/mol
Exact Mass415.16
IUPAC Name(3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one
SMILESO=C1[C@H](Oc2ccccc2)[C@@H](c2ccccc2)N1c1cccc2cc3ccccc3cc12
InChIInChI=1S/C29H21NO2/c31-29-28(32-24-15-5-2-6-16-24)27(20-10-3-1-4-11-20)30(29)26-17-9-14-23-18-21-12-7-8-13-22(21)19-25(23)26/h1-19,27-28H/t27-,28-/m1/s1
InChIKeyGSXGXTVPLXRWRE-VSGBNLITSA-N
XLogP6.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-N(6'-Chrysenyl)-3-acetoxy-4-phenyl-2-azetidinone
CID 404329
(3S,4R)-1-(4-methoxyphenyl)-3-phenoxy-4-phenylazetidin-2-one
CID 12897143
1-(4-Methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one
CID 15417856
[(3S,4S)-1-chrysen-6-yl-2-oxo-4-phenylazetidin-3-yl] acetate
CID 45113798
(3S,4R)-3-phenoxy-1,4-diphenylazetidin-2-one
CID 12281421
[(4S)-1-chrysen-6-yl-2-oxo-4-phenylazetidin-3-yl] acetate
CID 44283988
2-[1-[4-(Dimethylamino)phenyl]-4-oxo-3-phenoxyazetidin-2-yl]anthracene-9,10-dione
CID 66561088
4-[(4-Methoxyphenyl)methyl]-2-naphthalen-1-yl-1,4-benzoxazin-3-one
CID 145966030
4-[(4-Fluorophenyl)methyl]-2-naphthalen-1-yl-1,4-benzoxazin-3-one
CID 145974437
4-[(4-Fluorophenyl)methyl]-2-naphthalen-2-yl-1,4-benzoxazin-3-one
CID 145976977
(3S,4R)-4-(3-aminophenyl)-1-(3-morpholin-4-ylpropyl)-3-naphthalen-2-yloxyazetidin-2-one
CID 168281885
N-ethyl-N-naphthalen-1-yl-2-(4-phenylphenoxy)acetamide
CID 2383094

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one?
The IUPAC name of (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one (CID 10884200) is (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one is O=C1[C@H](Oc2ccccc2)[C@@H](c2ccccc2)N1c1cccc2cc3ccccc3cc12.
What is the InChIKey of (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one?
The InChIKey is GSXGXTVPLXRWRE-VSGBNLITSA-N. The full InChI is InChI=1S/C29H21NO2/c31-29-28(32-24-15-5-2-6-16-24)27(20-10-3-1-4-11-20)30(29)26-17-9-14-23-18-21-12-7-8-13-22(21)19-25(23)26/h1-19,27-28H/t27-,28-/m1/s1.
What are the key properties of (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one?
(3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one has a molecular weight of 415.49 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-anthracen-1-yl-3-phenoxy-4-phenylazetidin-2-one is sourced from PubChem (CID 10884200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).