2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid

C19H13F3O4 — CID 46202947

IUPAC2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(OC(F)(F)F)cc1OCc1cccc2ccccc12
InChIInChI=1S/C19H13F3O4/c20-19(21,22)26-14-8-9-16(18(23)24)17(10-14)25-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2,(H,23,24)
InChIKeyAJCOPHXMXKKYGE-UHFFFAOYSA-N
MW362.30 g/mol
LogP5.02
Rot. Bonds5

About 2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid

2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid (PubChem CID 46202947) has the molecular formula C19H13F3O4 and a molecular weight of 362.30 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid
PubChem CID46202947
Molecular FormulaC19H13F3O4
Molecular Weight362.30 g/mol
Exact Mass362.08
IUPAC Name2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(OC(F)(F)F)cc1OCc1cccc2ccccc12
InChIInChI=1S/C19H13F3O4/c20-19(21,22)26-14-8-9-16(18(23)24)17(10-14)25-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2,(H,23,24)
InChIKeyAJCOPHXMXKKYGE-UHFFFAOYSA-N
XLogP5.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
CID 10596178
4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521508
4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521525
2-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170681921
4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521526
4-(3-methoxypropyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521492
CID 67883357
CID 67883357
4-[(4-methylcyclohexyl)methyl]-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521522
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618
4-[(2-methylpyrazol-3-yl)methyl]-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521501

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid?
The IUPAC name of 2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid (CID 46202947) is 2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid is O=C(O)c1ccc(OC(F)(F)F)cc1OCc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid?
The InChIKey is AJCOPHXMXKKYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O4/c20-19(21,22)26-14-8-9-16(18(23)24)17(10-14)25-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2,(H,23,24).
What are the key properties of 2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid?
2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid has a molecular weight of 362.30 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 46202947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).