1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol

C23H17NO2S — CID 139201833

IUPAC1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol
SMILESO=[S@](c1ccccc1)c1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C23H17NO2S/c25-22-15-14-17-8-4-5-11-19(17)20(22)16-24-21-12-6-7-13-23(21)27(26)18-9-2-1-3-10-18/h1-16,25H/b24-16+/t27-/m1/s1
InChIKeyWDGFMUCKGVEZSR-HTCWZNLXSA-N
MW371.46 g/mol
LogP5.46
Rot. Bonds4

About 1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol

1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol (PubChem CID 139201833) has the molecular formula C23H17NO2S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol
PubChem CID139201833
Molecular FormulaC23H17NO2S
Molecular Weight371.46 g/mol
Exact Mass371.10
IUPAC Name1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol
SMILESO=[S@](c1ccccc1)c1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C23H17NO2S/c25-22-15-14-17-8-4-5-11-19(17)20(22)16-24-21-12-6-7-13-23(21)27(26)18-9-2-1-3-10-18/h1-16,25H/b24-16+/t27-/m1/s1
InChIKeyWDGFMUCKGVEZSR-HTCWZNLXSA-N
XLogP5.46
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Hydroxyphenyliminomethyl)-2-naphthol
CID 269970
1-(Anilinomethylidene)-2-naphthalenone
CID 269969
1-{(E)-[(4-vinylphenyl)imino]methyl}-2-naphthol
CID 4445693
Nsc305935
CID 328192
(E)-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-N-(1-phenylethyl)benzenesulfonamide
CID 135862920
1-[[2-(2-Phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol
CID 135800241
1-((3-(2-Phenylpropylthio)phenylimino)methyl)naphthalen-2-ol
CID 135862921
1-[[4-(2-Phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236342
1-(1-Naphthyliminomethyl)-2-naphthol
CID 1284358
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
CID 135800240
1-[[2-(2-Phenylpropylsulfonyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236339
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
CID 136236341

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol (CID 139201833) is 1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol is O=[S@](c1ccccc1)c1ccccc1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is WDGFMUCKGVEZSR-HTCWZNLXSA-N. The full InChI is InChI=1S/C23H17NO2S/c25-22-15-14-17-8-4-5-11-19(17)20(22)16-24-21-12-6-7-13-23(21)27(26)18-9-2-1-3-10-18/h1-16,25H/b24-16+/t27-/m1/s1.
What are the key properties of 1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol?
1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 371.46 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(R)-phenylsulfinyl]phenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 139201833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).