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

C17H10BrFO3 — CID 10193744

IUPAC12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol
SMILESOc1ccc2c3c(cc(Br)c2c1)-c1cc(F)c(O)cc1CO3
InChIInChI=1S/C17H10BrFO3/c18-14-5-13-11-6-15(19)16(21)3-8(11)7-22-17(13)10-2-1-9(20)4-12(10)14/h1-6,20-21H,7H2
InChIKeyZCPODVLMTMRRFA-UHFFFAOYSA-N
MW361.17 g/mol
LogP4.71
Rot. Bonds

About 12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol

12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol (PubChem CID 10193744) has the molecular formula C17H10BrFO3 and a molecular weight of 361.17 g/mol. Its IUPAC name is 12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol.

Molecular Properties

Compound Name12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol
PubChem CID10193744
Molecular FormulaC17H10BrFO3
Molecular Weight361.17 g/mol
Exact Mass359.98
IUPAC Name12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol
SMILESOc1ccc2c3c(cc(Br)c2c1)-c1cc(F)c(O)cc1CO3
InChIInChI=1S/C17H10BrFO3/c18-14-5-13-11-6-15(19)16(21)3-8(11)7-22-17(13)10-2-1-9(20)4-12(10)14/h1-6,20-21H,7H2
InChIKeyZCPODVLMTMRRFA-UHFFFAOYSA-N
XLogP4.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(Benzyloxy)-6-bromonaphthalen-2-ol
CID 74892820
1-Bromo-2-[(1-bromonaphthalen-2-yl)oxymethyl]-3,4,5,6,7,8-hexafluoronaphthalene
CID 139248167
1-Bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene
CID 164672872
(Z)-7-(2-bromo-5-fluoro-3-methylstyryl)-1,6-dimethoxynaphthalene
CID 167713719
3-(2-Bromophenyl)-7-methoxynaphthalen-2-ol
CID 12177979
10-Bromo-1,8-dimethoxyanthracene
CID 57516447
9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol
CID 10308277
7-[3-(trifluoromethoxy)phenyl]-5H-naphtho[3,2-c]isochromene-3,9-diol
CID 11154473
7-(3,5-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
CID 11176325
7-(3,4-difluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
CID 11211084
7-(4-fluoro-3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
CID 11222511
7-(2-fluorophenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
CID 11245276

Frequently Asked Questions

What is the IUPAC name of 12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol?
The IUPAC name of 12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol (CID 10193744) is 12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol.
What is the SMILES notation for 12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol?
The canonical SMILES for 12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol is Oc1ccc2c3c(cc(Br)c2c1)-c1cc(F)c(O)cc1CO3.
What is the InChIKey of 12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol?
The InChIKey is ZCPODVLMTMRRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFO3/c18-14-5-13-11-6-15(19)16(21)3-8(11)7-22-17(13)10-2-1-9(20)4-12(10)14/h1-6,20-21H,7H2.
What are the key properties of 12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol?
12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol has a molecular weight of 361.17 g/mol, XLogP of 4.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromo-9-fluoro-6H-naphtho[1,2-c]isochromene-2,8-diol is sourced from PubChem (CID 10193744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).