1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol

C26H23NOS — CID 135862921

IUPAC1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESCC(CSc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C26H23NOS/c1-19(20-8-3-2-4-9-20)18-29-23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+
InChIKeyWEGBYIMIALFDLG-WPWMEQJKSA-N
MW397.54 g/mol
LogP7.19
Rot. Bonds6

About 1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol

1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol (PubChem CID 135862921) has the molecular formula C26H23NOS and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol
PubChem CID135862921
Molecular FormulaC26H23NOS
Molecular Weight397.54 g/mol
Exact Mass397.15
IUPAC Name1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESCC(CSc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C26H23NOS/c1-19(20-8-3-2-4-9-20)18-29-23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+
InChIKeyWEGBYIMIALFDLG-WPWMEQJKSA-N
XLogP7.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 57.19
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-(Anilinomethylidene)-2-naphthalenone
CID 269969
1-{(E)-[(4-vinylphenyl)imino]methyl}-2-naphthol
CID 4445693
1-(O-Tolyliminomethyl)-2-naphthol
CID 548604
1-[[2-(2-Phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol
CID 135800241
1-[[4-(2-Phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236342
1-(1-Naphthyliminomethyl)-2-naphthol
CID 1284358
1-(M-Tolyliminomethyl)-2-naphthol
CID 621404
1-[[2-(2-Phenylpropylsulfonyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236339
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
CID 136236341
1-[[2-(2-Phenylpropylsulfinyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236343
1-[[3-(2-Phenylpropylsulfinyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236344
1-[[4-(2-Phenylpropylsulfinyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236345

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol (CID 135862921) is 1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol is CC(CSc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccccc1.
What is the InChIKey of 1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is WEGBYIMIALFDLG-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H23NOS/c1-19(20-8-3-2-4-9-20)18-29-23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+.
What are the key properties of 1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol?
1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 397.54 g/mol, XLogP of 7.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135862921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).