3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid

C20H14O5 — CID 174782525

IUPAC3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid
SMILESCOC(=O)c1cc(C(=O)O)cc(C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H14O5/c1-25-20(24)15-10-13(9-14(11-15)19(22)23)18(21)17-8-4-6-12-5-2-3-7-16(12)17/h2-11H,1H3,(H,22,23)
InChIKeyNMGFWMQITVRSBA-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.56
Rot. Bonds4

About 3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid

3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid (PubChem CID 174782525) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid
PubChem CID174782525
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid
SMILESCOC(=O)c1cc(C(=O)O)cc(C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H14O5/c1-25-20(24)15-10-13(9-14(11-15)19(22)23)18(21)17-8-4-6-12-5-2-3-7-16(12)17/h2-11H,1H3,(H,22,23)
InChIKeyNMGFWMQITVRSBA-UHFFFAOYSA-N
XLogP3.56
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
[3-[3,5-bis(naphthalene-1-carbonyl)benzoyl]-5-(naphthalene-1-carbonyl)phenyl]-naphthalen-1-ylmethanone;ethane;methanethiol;propane
CID 143925290
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;terephthalic acid
CID 67578503
methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate
CID 175123666
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
benzene-1,3-dicarboxylic acid;ethane-1,2-diol;naphthalene-1-carboxylic acid
CID 175531954
3-(naphthalene-1-carbonyl)benzoate
CID 6947576
(Z)-3-(4-methoxycarbonylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83954143
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
methyl 4-(hydroxymethyl)naphthalene-2-carboxylate
CID 12749200

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid?
The IUPAC name of 3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid (CID 174782525) is 3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid.
What is the SMILES notation for 3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid?
The canonical SMILES for 3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid is COC(=O)c1cc(C(=O)O)cc(C(=O)c2cccc3ccccc23)c1.
What is the InChIKey of 3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid?
The InChIKey is NMGFWMQITVRSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c1-25-20(24)15-10-13(9-14(11-15)19(22)23)18(21)17-8-4-6-12-5-2-3-7-16(12)17/h2-11H,1H3,(H,22,23).
What are the key properties of 3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid?
3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid has a molecular weight of 334.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid is sourced from PubChem (CID 174782525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).