8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile

C18H11ClFNO2 — CID 11472899

IUPAC8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c3c(Cl)c(O)ccc3c2)cc1F
InChIInChI=1S/C18H11ClFNO2/c1-23-16-5-3-10(8-14(16)20)12-6-11-2-4-15(22)18(19)17(11)13(7-12)9-21/h2-8,22H,1H3
InChIKeyRKTCZJPBJNXBOV-UHFFFAOYSA-N
MW327.74 g/mol
LogP4.89
Rot. Bonds2

About 8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile

8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile (PubChem CID 11472899) has the molecular formula C18H11ClFNO2 and a molecular weight of 327.74 g/mol. Its IUPAC name is 8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
PubChem CID11472899
Molecular FormulaC18H11ClFNO2
Molecular Weight327.74 g/mol
Exact Mass327.05
IUPAC Name8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c3c(Cl)c(O)ccc3c2)cc1F
InChIInChI=1S/C18H11ClFNO2/c1-23-16-5-3-10(8-14(16)20)12-6-11-2-4-15(22)18(19)17(11)13(7-12)9-21/h2-8,22H,1H3
InChIKeyRKTCZJPBJNXBOV-UHFFFAOYSA-N
XLogP4.89
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The IUPAC name of 8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile (CID 11472899) is 8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.
What is the SMILES notation for 8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The canonical SMILES for 8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile is COc1ccc(-c2cc(C#N)c3c(Cl)c(O)ccc3c2)cc1F.
What is the InChIKey of 8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The InChIKey is RKTCZJPBJNXBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFNO2/c1-23-16-5-3-10(8-14(16)20)12-6-11-2-4-15(22)18(19)17(11)13(7-12)9-21/h2-8,22H,1H3.
What are the key properties of 8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile has a molecular weight of 327.74 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3-fluoro-4-methoxyphenyl)-7-hydroxynaphthalene-1-carbonitrile is sourced from PubChem (CID 11472899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).