4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol

C21H16FNO4 — CID 146171504

IUPAC4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol
SMILESOc1ccc(C2C/C(=N\c3ccccc3F)c3c(O)cc(O)cc3O2)cc1
InChIInChI=1S/C21H16FNO4/c22-15-3-1-2-4-16(15)23-17-11-19(12-5-7-13(24)8-6-12)27-20-10-14(25)9-18(26)21(17)20/h1-10,19,24-26H,11H2/b23-17+
InChIKeyJCKBDVDGUQMIKP-HAVVHWLPSA-N
MW365.36 g/mol
LogP4.59
Rot. Bonds2

About 4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol

4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol (PubChem CID 146171504) has the molecular formula C21H16FNO4 and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol.

Molecular Properties

Compound Name4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol
PubChem CID146171504
Molecular FormulaC21H16FNO4
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol
SMILESOc1ccc(C2C/C(=N\c3ccccc3F)c3c(O)cc(O)cc3O2)cc1
InChIInChI=1S/C21H16FNO4/c22-15-3-1-2-4-16(15)23-17-11-19(12-5-7-13(24)8-6-12)27-20-10-14(25)9-18(26)21(17)20/h1-10,19,24-26H,11H2/b23-17+
InChIKeyJCKBDVDGUQMIKP-HAVVHWLPSA-N
XLogP4.59
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol?
The IUPAC name of 4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol (CID 146171504) is 4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol.
What is the SMILES notation for 4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol?
The canonical SMILES for 4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol is Oc1ccc(C2C/C(=N\c3ccccc3F)c3c(O)cc(O)cc3O2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol?
The InChIKey is JCKBDVDGUQMIKP-HAVVHWLPSA-N. The full InChI is InChI=1S/C21H16FNO4/c22-15-3-1-2-4-16(15)23-17-11-19(12-5-7-13(24)8-6-12)27-20-10-14(25)9-18(26)21(17)20/h1-10,19,24-26H,11H2/b23-17+.
What are the key properties of 4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol?
4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol has a molecular weight of 365.36 g/mol, XLogP of 4.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)imino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol is sourced from PubChem (CID 146171504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).