(3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one

C25H19NO3 — CID 118724551

IUPAC(3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one
SMILESO=C1[C@@H](c2ccc3ccccc3c2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1
InChIInChI=1S/C25H19NO3/c27-21-11-7-17(8-12-21)24-23(19-6-5-16-3-1-2-4-18(16)15-19)25(29)26(24)20-9-13-22(28)14-10-20/h1-15,23-24,27-28H/t23-,24-/m0/s1
InChIKeyZOQLGNTVHBSRPX-ZEQRLZLVSA-N
MW381.43 g/mol
LogP5.12
Rot. Bonds3

About (3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one

(3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one (PubChem CID 118724551) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is (3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one
PubChem CID118724551
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name(3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one
SMILESO=C1[C@@H](c2ccc3ccccc3c2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1
InChIInChI=1S/C25H19NO3/c27-21-11-7-17(8-12-21)24-23(19-6-5-16-3-1-2-4-18(16)15-19)25(29)26(24)20-9-13-22(28)14-10-20/h1-15,23-24,27-28H/t23-,24-/m0/s1
InChIKeyZOQLGNTVHBSRPX-ZEQRLZLVSA-N
XLogP5.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one?
The IUPAC name of (3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one (CID 118724551) is (3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one?
The canonical SMILES for (3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one is O=C1[C@@H](c2ccc3ccccc3c2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1.
What is the InChIKey of (3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one?
The InChIKey is ZOQLGNTVHBSRPX-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H19NO3/c27-21-11-7-17(8-12-21)24-23(19-6-5-16-3-1-2-4-18(16)15-19)25(29)26(24)20-9-13-22(28)14-10-20/h1-15,23-24,27-28H/t23-,24-/m0/s1.
What are the key properties of (3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one?
(3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one has a molecular weight of 381.43 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,4-bis(4-hydroxyphenyl)-3-naphthalen-2-ylazetidin-2-one is sourced from PubChem (CID 118724551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).