1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol

C17H11ClF2O2 — CID 11209422

IUPAC1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol
SMILESCOc1ccc(-c2cc(F)c3c(Cl)c(O)ccc3c2)cc1F
InChIInChI=1S/C17H11ClF2O2/c1-22-15-5-3-9(7-12(15)19)11-6-10-2-4-14(21)17(18)16(10)13(20)8-11/h2-8,21H,1H3
InChIKeyNZRUFBUPRLIWCP-UHFFFAOYSA-N
MW320.72 g/mol
LogP5.15
Rot. Bonds2

About 1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol

1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol (PubChem CID 11209422) has the molecular formula C17H11ClF2O2 and a molecular weight of 320.72 g/mol. Its IUPAC name is 1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol
PubChem CID11209422
Molecular FormulaC17H11ClF2O2
Molecular Weight320.72 g/mol
Exact Mass320.04
IUPAC Name1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol
SMILESCOc1ccc(-c2cc(F)c3c(Cl)c(O)ccc3c2)cc1F
InChIInChI=1S/C17H11ClF2O2/c1-22-15-5-3-9(7-12(15)19)11-6-10-2-4-14(21)17(18)16(10)13(20)8-11/h2-8,21H,1H3
InChIKeyNZRUFBUPRLIWCP-UHFFFAOYSA-N
XLogP5.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.72
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Chloro-6-(4-hydroxyphenyl)-2-naphthol
CID 6102690
1,8-Dichloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
CID 10149584
8-Chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
CID 10214699
6-(3-Chloro-4-hydroxy-phenyl)-naphthalen-2-ol
CID 10286087
1-Chloro-6-(3-chloro-4-hydroxyphenyl)-2-naphthol
CID 10125582
1-Chloro-6-(2,5-difluoro-4-hydroxyphenyl)-2-naphthol
CID 10149610
1-Chloro-6-(3-fluoro-4-hydroxyphenyl)-2-naphthol
CID 10171666
1-Chloro-8-fluoro-6-(3-fluoro-4-hydroxyphenyl)-2-naphthol
CID 10171830
8-Chloro-3-(3-fluoro-4-hydroxy-phenyl)-7-hydroxy-naphthalene-1-carbonitrile
CID 10215058
1-Chloro-6-(2-fluoro-4-hydroxyphenyl)-2-naphthol
CID 10236407
1-Chloro-6-(4-hydroxy-2-methylphenyl)-2-naphthol
CID 10286186
1-Chloro-8-fluoro-6-(4-hydroxyphenyl)-2-naphthol
CID 10286213

Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol (CID 11209422) is 1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol is COc1ccc(-c2cc(F)c3c(Cl)c(O)ccc3c2)cc1F.
What is the InChIKey of 1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol?
The InChIKey is NZRUFBUPRLIWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2O2/c1-22-15-5-3-9(7-12(15)19)11-6-10-2-4-14(21)17(18)16(10)13(20)8-11/h2-8,21H,1H3.
What are the key properties of 1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol?
1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol has a molecular weight of 320.72 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 11209422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).