7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol

C23H14F2O3 — CID 11211084

IUPAC7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
SMILESOc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1ccc(F)c(F)c1
InChIInChI=1S/C23H14F2O3/c24-20-6-2-13(9-21(20)25)22-18-10-16(27)3-1-12(18)8-19-17-5-4-15(26)7-14(17)11-28-23(19)22/h1-10,26-27H,11H2
InChIKeyBSCQSAWSJUMSLD-UHFFFAOYSA-N
MW376.36 g/mol
LogP5.76
Rot. Bonds1

About 7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol

7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol (PubChem CID 11211084) has the molecular formula C23H14F2O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
PubChem CID11211084
Molecular FormulaC23H14F2O3
Molecular Weight376.36 g/mol
Exact Mass376.09
IUPAC Name7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
SMILESOc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1ccc(F)c(F)c1
InChIInChI=1S/C23H14F2O3/c24-20-6-2-13(9-21(20)25)22-18-10-16(27)3-1-12(18)8-19-17-5-4-15(26)7-14(17)11-28-23(19)22/h1-10,26-27H,11H2
InChIKeyBSCQSAWSJUMSLD-UHFFFAOYSA-N
XLogP5.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.36
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
The IUPAC name of 7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol (CID 11211084) is 7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol.
What is the SMILES notation for 7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
The canonical SMILES for 7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol is Oc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1ccc(F)c(F)c1.
What is the InChIKey of 7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
The InChIKey is BSCQSAWSJUMSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2O3/c24-20-6-2-13(9-21(20)25)22-18-10-16(27)3-1-12(18)8-19-17-5-4-15(26)7-14(17)11-28-23(19)22/h1-10,26-27H,11H2.
What are the key properties of 7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol has a molecular weight of 376.36 g/mol, XLogP of 5.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol is sourced from PubChem (CID 11211084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).