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

C17H11ClO3 — CID 10286283

IUPAC2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol
SMILESOc1ccc2c(c1)COc1c-2ccc2c(O)c(Cl)ccc12
InChIInChI=1S/C17H11ClO3/c18-15-6-5-14-12(16(15)20)3-4-13-11-2-1-10(19)7-9(11)8-21-17(13)14/h1-7,19-20H,8H2
InChIKeyNCGIONJFFCTJRG-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.46
Rot. Bonds

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

2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol (PubChem CID 10286283) has the molecular formula C17H11ClO3 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol.

Molecular Properties

Compound Name2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol
PubChem CID10286283
Molecular FormulaC17H11ClO3
Molecular Weight298.73 g/mol
Exact Mass298.04
IUPAC Name2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol
SMILESOc1ccc2c(c1)COc1c-2ccc2c(O)c(Cl)ccc12
InChIInChI=1S/C17H11ClO3/c18-15-6-5-14-12(16(15)20)3-4-13-11-2-1-10(19)7-9(11)8-21-17(13)14/h1-7,19-20H,8H2
InChIKeyNCGIONJFFCTJRG-UHFFFAOYSA-N
XLogP4.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol
CID 20721274
1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile
CID 10215158
7-(3-methylphenyl)-5H-naphtho[3,2-c]isochromene-3,9-diol
CID 11739707
(2R)-2-methyl-1-methylidene-2,3,4,6-tetrahydronaphtho[1,2-c]isochromen-8-ol
CID 67682015
2-bromo-6H-benzo[c]chromene-3,8-diol
CID 150096305
9,10-dihydrophenanthrene-2,6-diol
CID 163031531
4-chlorobenzene-1,3-diol
CID 1731
bis(3,4-dichlorophenol);zirconium
CID 161397670
6,13-ditert-butyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene
CID 158058262
1,2-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile
CID 68841482
3,9-dihydroxy-8,9-dihydro-5H-benzo[d][2]benzoxepin-7-one
CID 174284227
4-(2H-azirin-3-yl)-3-chlorophenol
CID 163568655

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol?
The IUPAC name of 2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol (CID 10286283) is 2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol.
What is the SMILES notation for 2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol?
The canonical SMILES for 2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol is Oc1ccc2c(c1)COc1c-2ccc2c(O)c(Cl)ccc12.
What is the InChIKey of 2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol?
The InChIKey is NCGIONJFFCTJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO3/c18-15-6-5-14-12(16(15)20)3-4-13-11-2-1-10(19)7-9(11)8-21-17(13)14/h1-7,19-20H,8H2.
What are the key properties of 2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol?
2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol has a molecular weight of 298.73 g/mol, XLogP of 4.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6H-naphtho[1,2-c]isochromene-1,8-diol is sourced from PubChem (CID 10286283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).