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

C17H12ClFO2 — CID 11289654

IUPAC1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol
SMILESCOc1ccc(-c2cc(F)c3c(Cl)c(O)ccc3c2)cc1
InChIInChI=1S/C17H12ClFO2/c1-21-13-5-2-10(3-6-13)12-8-11-4-7-15(20)17(18)16(11)14(19)9-12/h2-9,20H,1H3
InChIKeyHHJAFHWKPPRSEF-UHFFFAOYSA-N
MW302.73 g/mol
LogP5.01
Rot. Bonds2

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

1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol (PubChem CID 11289654) has the molecular formula C17H12ClFO2 and a molecular weight of 302.73 g/mol. Its IUPAC name is 1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol
PubChem CID11289654
Molecular FormulaC17H12ClFO2
Molecular Weight302.73 g/mol
Exact Mass302.05
IUPAC Name1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol
SMILESCOc1ccc(-c2cc(F)c3c(Cl)c(O)ccc3c2)cc1
InChIInChI=1S/C17H12ClFO2/c1-21-13-5-2-10(3-6-13)12-8-11-4-7-15(20)17(18)16(11)14(19)9-12/h2-9,20H,1H3
InChIKeyHHJAFHWKPPRSEF-UHFFFAOYSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.73
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
8-Chloro-7-hydroxy-3-(4-hydroxy-phenyl)-naphthalene-1-carbonitrile
CID 10236450
1-Chloro-6-(4-hydroxy-2-methylphenyl)-2-naphthol
CID 10286186

Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol (CID 11289654) is 1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol is COc1ccc(-c2cc(F)c3c(Cl)c(O)ccc3c2)cc1.
What is the InChIKey of 1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol?
The InChIKey is HHJAFHWKPPRSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFO2/c1-21-13-5-2-10(3-6-13)12-8-11-4-7-15(20)17(18)16(11)14(19)9-12/h2-9,20H,1H3.
What are the key properties of 1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol?
1-chloro-8-fluoro-6-(4-methoxyphenyl)naphthalen-2-ol has a molecular weight of 302.73 g/mol, XLogP of 5.01, 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-(4-methoxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 11289654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).