1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol

C27H18FNO2 — CID 136697424

IUPAC1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol
SMILESOc1ccc(F)cc1/C=N/c1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C27H18FNO2/c28-20-11-14-24(30)19(15-20)16-29-23-12-9-17-5-1-3-7-21(17)26(23)27-22-8-4-2-6-18(22)10-13-25(27)31/h1-16,30-31H/b29-16+
InChIKeyHVKBYJACYVOLHB-MUFRIFMGSA-N
MW407.44 g/mol
LogP6.96
Rot. Bonds3

About 1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol

1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol (PubChem CID 136697424) has the molecular formula C27H18FNO2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol
PubChem CID136697424
Molecular FormulaC27H18FNO2
Molecular Weight407.44 g/mol
Exact Mass407.13
IUPAC Name1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol
SMILESOc1ccc(F)cc1/C=N/c1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C27H18FNO2/c28-20-11-14-24(30)19(15-20)16-29-23-12-9-17-5-1-3-7-21(17)26(23)27-22-8-4-2-6-18(22)10-13-25(27)31/h1-16,30-31H/b29-16+
InChIKeyHVKBYJACYVOLHB-MUFRIFMGSA-N
XLogP6.96
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.44
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
CID 136677845
2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11285131
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11519235
2-[(2-chloro-4-fluorophenyl)iminomethyl]phenol
CID 135595437
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322
4-bromo-2-[[1-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-tert-butylphenol
CID 136702081
2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol
CID 136845962
1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 136596197
4-fluoro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 135908107

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol (CID 136697424) is 1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol is Oc1ccc(F)cc1/C=N/c1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol?
The InChIKey is HVKBYJACYVOLHB-MUFRIFMGSA-N. The full InChI is InChI=1S/C27H18FNO2/c28-20-11-14-24(30)19(15-20)16-29-23-12-9-17-5-1-3-7-21(17)26(23)27-22-8-4-2-6-18(22)10-13-25(27)31/h1-16,30-31H/b29-16+.
What are the key properties of 1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol?
1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol has a molecular weight of 407.44 g/mol, XLogP of 6.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 136697424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).