methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate

C19H13F3O4 — CID 71738139

IUPACmethyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2c(O)ccc(-c3cc(F)c(F)c(F)c3)c2c1
InChIInChI=1S/C19H13F3O4/c1-25-18(24)9-26-11-2-3-13-14(8-11)12(4-5-17(13)23)10-6-15(20)19(22)16(21)7-10/h2-8,23H,9H2,1H3
InChIKeyJPOWGLCGHBYKLB-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.18
Rot. Bonds4

About methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate

methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate (PubChem CID 71738139) has the molecular formula C19H13F3O4 and a molecular weight of 362.30 g/mol. Its IUPAC name is methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate
PubChem CID71738139
Molecular FormulaC19H13F3O4
Molecular Weight362.30 g/mol
Exact Mass362.08
IUPAC Namemethyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2c(O)ccc(-c3cc(F)c(F)c(F)c3)c2c1
InChIInChI=1S/C19H13F3O4/c1-25-18(24)9-26-11-2-3-13-14(8-11)12(4-5-17(13)23)10-6-15(20)19(22)16(21)7-10/h2-8,23H,9H2,1H3
InChIKeyJPOWGLCGHBYKLB-UHFFFAOYSA-N
XLogP4.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate 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

Sobetirome
CID 9862248
GC-24
CID 448011
3,6-Dimethoxyphenanthren-4-yl acetate
CID 273034
8-Hydroxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one
CID 12448344
2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid
CID 327338
2-[4-[[4-Hydroxy-3-[2-(4-pentylphenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid
CID 10413582
{4-[1-(4-Hydroxy-3-isopropyl-phenyl)-but-3-enyl]-3,5-dimethyl-phenoxy}-acetic acid
CID 9799416
[4-(4-Hydroxy-3-isopropyl-5-phenylethynyl-benzyl)-3,5-dimethyl-phenoxy]-acetic acid(NH-1)
CID 9980009
2-(4''-Methoxy-5-(trifluoromethyl)biphenyl-2-yloxy)acetic acid
CID 11416126
3-(4-(6-Hydroxy-3-pentyl-2-phenylnaphthalen-1-yloxy)phenyl)acrylic acid
CID 11561520
3-(4-(6-Hydroxy-3-isobutyl-2-phenylnaphthalen-1-yloxy)phenyl)acrylic acid
CID 11582975
3-(4-(3-Butyl-6-hydroxy-2-phenylnaphthalen-1-yloxy)phenyl)acrylic acid
CID 11719093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate?
The IUPAC name of methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate (CID 71738139) is methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate.
What is the SMILES notation for methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate?
The canonical SMILES for methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate is COC(=O)COc1ccc2c(O)ccc(-c3cc(F)c(F)c(F)c3)c2c1.
What is the InChIKey of methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate?
The InChIKey is JPOWGLCGHBYKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O4/c1-25-18(24)9-26-11-2-3-13-14(8-11)12(4-5-17(13)23)10-6-15(20)19(22)16(21)7-10/h2-8,23H,9H2,1H3.
What are the key properties of methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate?
methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate has a molecular weight of 362.30 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-hydroxy-8-(3,4,5-trifluorophenyl)naphthalen-2-yl]oxyacetate is sourced from PubChem (CID 71738139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).