4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid

C19H13F3O3 — CID 67974824

IUPAC4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
SMILESCOc1ccc2cc(-c3ccc(C(=O)O)cc3C(F)(F)F)ccc2c1
InChIInChI=1S/C19H13F3O3/c1-25-15-6-4-11-8-13(3-2-12(11)9-15)16-7-5-14(18(23)24)10-17(16)19(20,21)22/h2-10H,1H3,(H,23,24)
InChIKeyFTYMXMDXYTWDCX-UHFFFAOYSA-N
MW346.30 g/mol
LogP5.23
Rot. Bonds3

About 4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid

4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid (PubChem CID 67974824) has the molecular formula C19H13F3O3 and a molecular weight of 346.30 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
PubChem CID67974824
Molecular FormulaC19H13F3O3
Molecular Weight346.30 g/mol
Exact Mass346.08
IUPAC Name4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
SMILESCOc1ccc2cc(-c3ccc(C(=O)O)cc3C(F)(F)F)ccc2c1
InChIInChI=1S/C19H13F3O3/c1-25-15-6-4-11-8-13(3-2-12(11)9-15)16-7-5-14(18(23)24)10-17(16)19(20,21)22/h2-10H,1H3,(H,23,24)
InChIKeyFTYMXMDXYTWDCX-UHFFFAOYSA-N
XLogP5.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.30
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228622
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene
CID 164894616
2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 103750502
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
(9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid
CID 163301267
4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid (CID 67974824) is 4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid is COc1ccc2cc(-c3ccc(C(=O)O)cc3C(F)(F)F)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid?
The InChIKey is FTYMXMDXYTWDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O3/c1-25-15-6-4-11-8-13(3-2-12(11)9-15)16-7-5-14(18(23)24)10-17(16)19(20,21)22/h2-10H,1H3,(H,23,24).
What are the key properties of 4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid?
4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid has a molecular weight of 346.30 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 67974824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).