1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile

C18H10ClNO3 — CID 10215158

IUPAC1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile
SMILESN#Cc1cc2c(c3ccc(O)c(Cl)c13)OCc1cc(O)ccc1-2
InChIInChI=1S/C18H10ClNO3/c19-17-15(22)4-3-13-16(17)9(7-20)6-14-12-2-1-11(21)5-10(12)8-23-18(13)14/h1-6,21-22H,8H2
InChIKeyFYXKQAXKAAUQQN-UHFFFAOYSA-N
MW323.74 g/mol
LogP4.34
Rot. Bonds

About 1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile

1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile (PubChem CID 10215158) has the molecular formula C18H10ClNO3 and a molecular weight of 323.74 g/mol. Its IUPAC name is 1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile.

Molecular Properties

Compound Name1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile
PubChem CID10215158
Molecular FormulaC18H10ClNO3
Molecular Weight323.74 g/mol
Exact Mass323.03
IUPAC Name1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile
SMILESN#Cc1cc2c(c3ccc(O)c(Cl)c13)OCc1cc(O)ccc1-2
InChIInChI=1S/C18H10ClNO3/c19-17-15(22)4-3-13-16(17)9(7-20)6-14-12-2-1-11(21)5-10(12)8-23-18(13)14/h1-6,21-22H,8H2
InChIKeyFYXKQAXKAAUQQN-UHFFFAOYSA-N
XLogP4.34
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile?
The IUPAC name of 1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile (CID 10215158) is 1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile.
What is the SMILES notation for 1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile?
The canonical SMILES for 1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile is N#Cc1cc2c(c3ccc(O)c(Cl)c13)OCc1cc(O)ccc1-2.
What is the InChIKey of 1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile?
The InChIKey is FYXKQAXKAAUQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNO3/c19-17-15(22)4-3-13-16(17)9(7-20)6-14-12-2-1-11(21)5-10(12)8-23-18(13)14/h1-6,21-22H,8H2.
What are the key properties of 1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile?
1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile has a molecular weight of 323.74 g/mol, XLogP of 4.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,8-dihydroxy-6H-naphtho[1,2-c]isochromene-12-carbonitrile is sourced from PubChem (CID 10215158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).