9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol

C17H11FO3 — CID 10308277

IUPAC9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol
SMILESOc1ccc2c3c(ccc2c1)-c1cc(F)c(O)cc1CO3
InChIInChI=1S/C17H11FO3/c18-15-7-14-10(6-16(15)20)8-21-17-12-4-2-11(19)5-9(12)1-3-13(14)17/h1-7,19-20H,8H2
InChIKeyUMWPBUBURXGAQL-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.95
Rot. Bonds

About 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol

9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol (PubChem CID 10308277) has the molecular formula C17H11FO3 and a molecular weight of 282.27 g/mol. Its IUPAC name is 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol.

Molecular Properties

Compound Name9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol
PubChem CID10308277
Molecular FormulaC17H11FO3
Molecular Weight282.27 g/mol
Exact Mass282.07
IUPAC Name9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol
SMILESOc1ccc2c3c(ccc2c1)-c1cc(F)c(O)cc1CO3
InChIInChI=1S/C17H11FO3/c18-15-7-14-10(6-16(15)20)8-21-17-12-4-2-11(19)5-9(12)1-3-13(14)17/h1-7,19-20H,8H2
InChIKeyUMWPBUBURXGAQL-UHFFFAOYSA-N
XLogP3.95
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-Fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}naphthalen-2-ol
CID 11720175
Benzo(kl)xanthene
CID 67456
Cirrhopetalanthin
CID 9982511
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
3,6-Dimethoxy-4-phenanthrenol
CID 617472
4,7-dimethyl-6H-benzo[c]chromene-3,8-diol
CID 9991961
4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol
CID 10060956
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
3-(5'-{[3,4-Bis(Hydroxymethyl)benzyl]oxy}-2'-Ethyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 10174128

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol?
The IUPAC name of 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol (CID 10308277) is 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol.
What is the SMILES notation for 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol?
The canonical SMILES for 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol is Oc1ccc2c3c(ccc2c1)-c1cc(F)c(O)cc1CO3.
What is the InChIKey of 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol?
The InChIKey is UMWPBUBURXGAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO3/c18-15-7-14-10(6-16(15)20)8-21-17-12-4-2-11(19)5-9(12)1-3-13(14)17/h1-7,19-20H,8H2.
What are the key properties of 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol?
9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol has a molecular weight of 282.27 g/mol, XLogP of 3.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol is sourced from PubChem (CID 10308277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).