(4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one

C27H21NO3 — CID 118724552

IUPAC(4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one
SMILESO=C1N(c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21NO3/c29-23-15-11-19(12-16-23)25-27(20-7-3-1-4-8-20,21-9-5-2-6-10-21)26(31)28(25)22-13-17-24(30)18-14-22/h1-18,25,29-30H/t25-/m0/s1
InChIKeySITHONSGWKZBPC-VWLOTQADSA-N
MW407.47 g/mol
LogP5.17
Rot. Bonds4

About (4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one

(4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one (PubChem CID 118724552) has the molecular formula C27H21NO3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one.

Molecular Properties

Compound Name(4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one
PubChem CID118724552
Molecular FormulaC27H21NO3
Molecular Weight407.47 g/mol
Exact Mass407.15
IUPAC Name(4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one
SMILESO=C1N(c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21NO3/c29-23-15-11-19(12-16-23)25-27(20-7-3-1-4-8-20,21-9-5-2-6-10-21)26(31)28(25)22-13-17-24(30)18-14-22/h1-18,25,29-30H/t25-/m0/s1
InChIKeySITHONSGWKZBPC-VWLOTQADSA-N
XLogP5.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one?
The IUPAC name of (4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one (CID 118724552) is (4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one.
What is the SMILES notation for (4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one?
The canonical SMILES for (4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one is O=C1N(c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one?
The InChIKey is SITHONSGWKZBPC-VWLOTQADSA-N. The full InChI is InChI=1S/C27H21NO3/c29-23-15-11-19(12-16-23)25-27(20-7-3-1-4-8-20,21-9-5-2-6-10-21)26(31)28(25)22-13-17-24(30)18-14-22/h1-18,25,29-30H/t25-/m0/s1.
What are the key properties of (4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one?
(4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one has a molecular weight of 407.47 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one is sourced from PubChem (CID 118724552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).