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

C24H17FO3 — CID 11222511

IUPAC7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
SMILESCc1cc(-c2c3c(cc4ccc(O)cc24)-c2ccc(O)cc2CO3)ccc1F
InChIInChI=1S/C24H17FO3/c1-13-8-15(3-7-22(13)25)23-20-11-18(27)4-2-14(20)10-21-19-6-5-17(26)9-16(19)12-28-24(21)23/h2-11,26-27H,12H2,1H3
InChIKeyMVCPXTGDVOXOSD-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.92
Rot. Bonds1

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

7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol (PubChem CID 11222511) has the molecular formula C24H17FO3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol.

Molecular Properties

Compound Name7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
PubChem CID11222511
Molecular FormulaC24H17FO3
Molecular Weight372.40 g/mol
Exact Mass372.12
IUPAC Name7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
SMILESCc1cc(-c2c3c(cc4ccc(O)cc24)-c2ccc(O)cc2CO3)ccc1F
InChIInChI=1S/C24H17FO3/c1-13-8-15(3-7-22(13)25)23-20-11-18(27)4-2-14(20)10-21-19-6-5-17(26)9-16(19)12-28-24(21)23/h2-11,26-27H,12H2,1H3
InChIKeyMVCPXTGDVOXOSD-UHFFFAOYSA-N
XLogP5.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
The IUPAC name of 7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol (CID 11222511) is 7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol.
What is the SMILES notation for 7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
The canonical SMILES for 7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol is Cc1cc(-c2c3c(cc4ccc(O)cc24)-c2ccc(O)cc2CO3)ccc1F.
What is the InChIKey of 7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
The InChIKey is MVCPXTGDVOXOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FO3/c1-13-8-15(3-7-22(13)25)23-20-11-18(27)4-2-14(20)10-21-19-6-5-17(26)9-16(19)12-28-24(21)23/h2-11,26-27H,12H2,1H3.
What are the key properties of 7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol has a molecular weight of 372.40 g/mol, XLogP of 5.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol is sourced from PubChem (CID 11222511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).