dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate

C24H18O4 — CID 139645771

IUPACdimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2cccc3ccccc23)c1C(=O)OC
InChIInChI=1S/C24H18O4/c1-27-23(25)20-14-16-9-4-6-12-18(16)21(22(20)24(26)28-2)19-13-7-10-15-8-3-5-11-17(15)19/h3-14H,1-2H3
InChIKeyPTHDDRYPOUTYAM-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.23
Rot. Bonds3

About dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate

dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate (PubChem CID 139645771) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
PubChem CID139645771
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Namedimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2cccc3ccccc23)c1C(=O)OC
InChIInChI=1S/C24H18O4/c1-27-23(25)20-14-16-9-4-6-12-18(16)21(22(20)24(26)28-2)19-13-7-10-15-8-3-5-11-17(15)19/h3-14H,1-2H3
InChIKeyPTHDDRYPOUTYAM-UHFFFAOYSA-N
XLogP5.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate
CID 71682574
methyl 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 691292
methyl 2-tetracen-5-ylbenzoate
CID 86720844
methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate
CID 24786970
methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
ethane;methyl 5-bromo-2-naphthalen-1-ylbenzoate
CID 144844652
methyl 5-fluoro-2-hydroxy-3,4-dimethyl-6-naphthalen-1-ylbenzoate
CID 24786853
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate (CID 139645771) is dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate is COC(=O)c1cc2ccccc2c(-c2cccc3ccccc23)c1C(=O)OC.
What is the InChIKey of dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate?
The InChIKey is PTHDDRYPOUTYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-27-23(25)20-14-16-9-4-6-12-18(16)21(22(20)24(26)28-2)19-13-7-10-15-8-3-5-11-17(15)19/h3-14H,1-2H3.
What are the key properties of dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate?
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate has a molecular weight of 370.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 139645771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).