2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid

C19H16O3 — CID 46203274

IUPAC2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid
SMILESCc1ccc(COc2ccccc2C(=O)O)c2ccccc12
InChIInChI=1S/C19H16O3/c1-13-10-11-14(16-7-3-2-6-15(13)16)12-22-18-9-5-4-8-17(18)19(20)21/h2-11H,12H2,1H3,(H,20,21)
InChIKeyRYIQPSRUOKQDEG-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.43
Rot. Bonds4

About 2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid

2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid (PubChem CID 46203274) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid
PubChem CID46203274
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid
SMILESCc1ccc(COc2ccccc2C(=O)O)c2ccccc12
InChIInChI=1S/C19H16O3/c1-13-10-11-14(16-7-3-2-6-15(13)16)12-22-18-9-5-4-8-17(18)19(20)21/h2-11H,12H2,1H3,(H,20,21)
InChIKeyRYIQPSRUOKQDEG-UHFFFAOYSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(2,4-difluorophenyl)methoxy]benzoic acid
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2-[(2-ethylphenoxy)methyl]benzoic acid
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2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
2-[(2-pentylphenyl)methoxy]benzoic acid
CID 67780957
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
2-(pyrimidin-2-ylmethoxy)benzoic acid
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2-ethoxybenzoic acid;zinc
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid (CID 46203274) is 2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid is Cc1ccc(COc2ccccc2C(=O)O)c2ccccc12.
What is the InChIKey of 2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid?
The InChIKey is RYIQPSRUOKQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-13-10-11-14(16-7-3-2-6-15(13)16)12-22-18-9-5-4-8-17(18)19(20)21/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid?
2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid is sourced from PubChem (CID 46203274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).