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

C23H15FO3 — CID 11245276

IUPAC7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
SMILESOc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1ccccc1F
InChIInChI=1S/C23H15FO3/c24-21-4-2-1-3-18(21)22-19-11-16(26)6-5-13(19)10-20-17-8-7-15(25)9-14(17)12-27-23(20)22/h1-11,25-26H,12H2
InChIKeyCKNDENAXVOBUNZ-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.62
Rot. Bonds1

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

7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol (PubChem CID 11245276) has the molecular formula C23H15FO3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol.

Molecular Properties

Compound Name7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
PubChem CID11245276
Molecular FormulaC23H15FO3
Molecular Weight358.37 g/mol
Exact Mass358.10
IUPAC Name7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
SMILESOc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1ccccc1F
InChIInChI=1S/C23H15FO3/c24-21-4-2-1-3-18(21)22-19-11-16(26)6-5-13(19)10-20-17-8-7-15(25)9-14(17)12-27-23(20)22/h1-11,25-26H,12H2
InChIKeyCKNDENAXVOBUNZ-UHFFFAOYSA-N
XLogP5.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-Fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}naphthalen-2-ol
CID 11720175
Cirrhopetalanthin
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Gymconopin C
CID 11465808
1-((4-Hydroxyphenyl)methyl)-4-methoxyphenanthrene-2,7-diol
CID 14630664
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
4,6,7,10-tetramethyl-6H-benzo[c]chromene-3,8-diol
CID 10061675
6-(4-Hydroxy-2-methoxy-phenyl)-naphthalen-2-ol
CID 10125342
4,10-dimethyl-6H-benzo[c]chromene-3,8-diol
CID 10399473
(6S,6aR,10aS)-6-(4-hydroxyphenyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-2-ol
CID 10171723
6-(4-Fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 11720174
6-(3-Fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)phenoxy)naphthalen-2-ol
CID 44427373
6-(3,4-Difluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)phenoxy)naphthalen-2-ol
CID 44427374

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
The IUPAC name of 7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol (CID 11245276) is 7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol.
What is the SMILES notation for 7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
The canonical SMILES for 7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol is Oc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1ccccc1F.
What is the InChIKey of 7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
The InChIKey is CKNDENAXVOBUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FO3/c24-21-4-2-1-3-18(21)22-19-11-16(26)6-5-13(19)10-20-17-8-7-15(25)9-14(17)12-27-23(20)22/h1-11,25-26H,12H2.
What are the key properties of 7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol?
7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol has a molecular weight of 358.37 g/mol, XLogP of 5.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol is sourced from PubChem (CID 11245276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).