(2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine

C19H21NO3 — CID 10495239

IUPAC(2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine
SMILESCOc1ccc(N2C[C@@H](c3ccccc3)[C@@H]2C2OCCO2)cc1
InChIInChI=1S/C19H21NO3/c1-21-16-9-7-15(8-10-16)20-13-17(14-5-3-2-4-6-14)18(20)19-22-11-12-23-19/h2-10,17-19H,11-13H2,1H3/t17-,18+/m0/s1
InChIKeyURNKCEADGZFQQV-ZWKOTPCHSA-N
MW311.38 g/mol
LogP3.04
Rot. Bonds4

About (2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine

(2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine (PubChem CID 10495239) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine.

Molecular Properties

Compound Name(2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine
PubChem CID10495239
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine
SMILESCOc1ccc(N2C[C@@H](c3ccccc3)[C@@H]2C2OCCO2)cc1
InChIInChI=1S/C19H21NO3/c1-21-16-9-7-15(8-10-16)20-13-17(14-5-3-2-4-6-14)18(20)19-22-11-12-23-19/h2-10,17-19H,11-13H2,1H3/t17-,18+/m0/s1
InChIKeyURNKCEADGZFQQV-ZWKOTPCHSA-N
XLogP3.04
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine
CID 10961096
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124775903
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
(6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane
CID 53237594
3-(4-methoxyphenyl)-1-oxido-2-phenyl-2,4-dihydroimidazol-1-ium
CID 102509143
tert-butyl (3R,3aS,7aS)-3-(4-methoxyphenyl)-1-phenyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-4-carboxylate
CID 110090483
(4-methoxyphenyl)-(3-methyl-2-phenylmorpholin-4-yl)methanone
CID 110728442
(2R,3R,6R)-3-(4-methoxyphenyl)-5-quinolin-2-yl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 72886420
(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 138963774
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine?
The IUPAC name of (2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine (CID 10495239) is (2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine.
What is the SMILES notation for (2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine?
The canonical SMILES for (2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine is COc1ccc(N2C[C@@H](c3ccccc3)[C@@H]2C2OCCO2)cc1.
What is the InChIKey of (2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine?
The InChIKey is URNKCEADGZFQQV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H21NO3/c1-21-16-9-7-15(8-10-16)20-13-17(14-5-3-2-4-6-14)18(20)19-22-11-12-23-19/h2-10,17-19H,11-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of (2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine?
(2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine has a molecular weight of 311.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine is sourced from PubChem (CID 10495239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).