4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid

C20H16O5 — CID 174530464

IUPAC4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid
SMILESCOc1cccc2ccc(-c3ccc(C(=O)O)c(C)c3C(=O)O)cc12
InChIInChI=1S/C20H16O5/c1-11-14(19(21)22)8-9-15(18(11)20(23)24)13-7-6-12-4-3-5-17(25-2)16(12)10-13/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyWGEAGYYRNUZWNA-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.22
Rot. Bonds4

About 4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid

4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid (PubChem CID 174530464) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid
PubChem CID174530464
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid
SMILESCOc1cccc2ccc(-c3ccc(C(=O)O)c(C)c3C(=O)O)cc12
InChIInChI=1S/C20H16O5/c1-11-14(19(21)22)8-9-15(18(11)20(23)24)13-7-6-12-4-3-5-17(25-2)16(12)10-13/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyWGEAGYYRNUZWNA-UHFFFAOYSA-N
XLogP4.22
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid (CID 174530464) is 4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid is COc1cccc2ccc(-c3ccc(C(=O)O)c(C)c3C(=O)O)cc12.
What is the InChIKey of 4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is WGEAGYYRNUZWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-11-14(19(21)22)8-9-15(18(11)20(23)24)13-7-6-12-4-3-5-17(25-2)16(12)10-13/h3-10H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid?
4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 336.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 174530464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).