2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid

C14H12O4 — CID 143785818

IUPAC2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid
SMILESCOC(=O)c1ccc2ccc(CC(=O)O)cc2c1
InChIInChI=1S/C14H12O4/c1-18-14(17)11-5-4-10-3-2-9(7-13(15)16)6-12(10)8-11/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyOGXPEXFNCIARLJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.25
Rot. Bonds3

About 2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid

2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid (PubChem CID 143785818) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid
PubChem CID143785818
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid
SMILESCOC(=O)c1ccc2ccc(CC(=O)O)cc2c1
InChIInChI=1S/C14H12O4/c1-18-14(17)11-5-4-10-3-2-9(7-13(15)16)6-12(10)8-11/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyOGXPEXFNCIARLJ-UHFFFAOYSA-N
XLogP2.25
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
methyl 6-prop-2-enylnaphthalene-2-carboxylate
CID 163936800
ethane;3-methoxycarbonylbenzoic acid;7-methoxycarbonylnaphthalene-2-carboxylic acid
CID 144908401
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate
CID 161270022
2-[3-hydroxy-4-(4-methoxycarbonylphenyl)sulfanylphenyl]acetic acid
CID 91879216
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate
CID 10447048
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700
methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate
CID 44549141

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid (CID 143785818) is 2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid is COC(=O)c1ccc2ccc(CC(=O)O)cc2c1.
What is the InChIKey of 2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid?
The InChIKey is OGXPEXFNCIARLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-18-14(17)11-5-4-10-3-2-9(7-13(15)16)6-12(10)8-11/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid?
2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid has a molecular weight of 244.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid is sourced from PubChem (CID 143785818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).