oxan-2-yl 2-carbazol-9-yl-2-phenylacetate

C25H23NO3 — CID 20752210

IUPACoxan-2-yl 2-carbazol-9-yl-2-phenylacetate
SMILESO=C(OC1CCCCO1)C(c1ccccc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C25H23NO3/c27-25(29-23-16-8-9-17-28-23)24(18-10-2-1-3-11-18)26-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26/h1-7,10-15,23-24H,8-9,16-17H2
InChIKeyPVBJBDPZQSPUMU-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.45
Rot. Bonds4

About oxan-2-yl 2-carbazol-9-yl-2-phenylacetate

oxan-2-yl 2-carbazol-9-yl-2-phenylacetate (PubChem CID 20752210) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is oxan-2-yl 2-carbazol-9-yl-2-phenylacetate.

Molecular Properties

Compound Nameoxan-2-yl 2-carbazol-9-yl-2-phenylacetate
PubChem CID20752210
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Nameoxan-2-yl 2-carbazol-9-yl-2-phenylacetate
SMILESO=C(OC1CCCCO1)C(c1ccccc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C25H23NO3/c27-25(29-23-16-8-9-17-28-23)24(18-10-2-1-3-11-18)26-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26/h1-7,10-15,23-24H,8-9,16-17H2
InChIKeyPVBJBDPZQSPUMU-UHFFFAOYSA-N
XLogP5.45
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(oxan-2-yl) 2-benzylpropanedioate
CID 14723470
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 131720683
cyclohexanamine;oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 172828135
oxan-2-yl 3-phenylpropanoate
CID 10609743
(2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid
CID 168737559
(1R,2R)-2-(oxan-2-yloxy)-1,2-diphenylethanol
CID 71209539
N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide
CID 99792755
(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
CID 14199162
tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181
3-[(S)-[(2R)-oxan-2-yl]oxy-phenylmethyl]-1,2-oxazole-4-carboxylic acid
CID 125377285
(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide
CID 139705725
S-ethyl (2S)-2-(oxan-2-yloxy)-2-phenylethanethioate
CID 135077940

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 2-carbazol-9-yl-2-phenylacetate?
The IUPAC name of oxan-2-yl 2-carbazol-9-yl-2-phenylacetate (CID 20752210) is oxan-2-yl 2-carbazol-9-yl-2-phenylacetate.
What is the SMILES notation for oxan-2-yl 2-carbazol-9-yl-2-phenylacetate?
The canonical SMILES for oxan-2-yl 2-carbazol-9-yl-2-phenylacetate is O=C(OC1CCCCO1)C(c1ccccc1)n1c2ccccc2c2ccccc21.
What is the InChIKey of oxan-2-yl 2-carbazol-9-yl-2-phenylacetate?
The InChIKey is PVBJBDPZQSPUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-25(29-23-16-8-9-17-28-23)24(18-10-2-1-3-11-18)26-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26/h1-7,10-15,23-24H,8-9,16-17H2.
What are the key properties of oxan-2-yl 2-carbazol-9-yl-2-phenylacetate?
oxan-2-yl 2-carbazol-9-yl-2-phenylacetate has a molecular weight of 385.46 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 2-carbazol-9-yl-2-phenylacetate is sourced from PubChem (CID 20752210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).