diphenyl naphthalene-1,2-dicarboxylate

C24H16O4 — CID 22408719

IUPACdiphenyl naphthalene-1,2-dicarboxylate
SMILESO=C(Oc1ccccc1)c1ccc2ccccc2c1C(=O)Oc1ccccc1
InChIInChI=1S/C24H16O4/c25-23(27-18-10-3-1-4-11-18)21-16-15-17-9-7-8-14-20(17)22(21)24(26)28-19-12-5-2-6-13-19/h1-16H
InChIKeyUPEZEZWAFHMKIY-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.28
Rot. Bonds4

About diphenyl naphthalene-1,2-dicarboxylate

diphenyl naphthalene-1,2-dicarboxylate (PubChem CID 22408719) has the molecular formula C24H16O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is diphenyl naphthalene-1,2-dicarboxylate.

Molecular Properties

Compound Namediphenyl naphthalene-1,2-dicarboxylate
PubChem CID22408719
Molecular FormulaC24H16O4
Molecular Weight368.39 g/mol
Exact Mass368.10
IUPAC Namediphenyl naphthalene-1,2-dicarboxylate
SMILESO=C(Oc1ccccc1)c1ccc2ccccc2c1C(=O)Oc1ccccc1
InChIInChI=1S/C24H16O4/c25-23(27-18-10-3-1-4-11-18)21-16-15-17-9-7-8-14-20(17)22(21)24(26)28-19-12-5-2-6-13-19/h1-16H
InChIKeyUPEZEZWAFHMKIY-UHFFFAOYSA-N
XLogP5.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-sulfanylnaphthalene-1-carboxylate
CID 91253104
2-phenoxyethoxybenzene;phenyl 1-hydroxynaphthalene-2-carboxylate
CID 66847564
phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate
CID 143110407
bis(prop-2-enyl) naphthalene-1,2-dicarboxylate
CID 19710369
2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid
CID 57145016
naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
diphenyl 3,4-dioctylbenzene-1,2-dicarboxylate
CID 70005633
3-(2-hydroxynaphthalene-1-carbonyl)oxynaphthalene-2-carboxylic acid
CID 57176431
phenyl 5-hydroxynaphthalene-1-carboxylate
CID 19766520
1-(2-sulfanylethoxycarbonyl)naphthalene-2-carboxylic acid
CID 139940813
2-(9-phenoxycarbonylacridin-10-ium-10-yl)acetic acid bromide
CID 19364939

Frequently Asked Questions

What is the IUPAC name of diphenyl naphthalene-1,2-dicarboxylate?
The IUPAC name of diphenyl naphthalene-1,2-dicarboxylate (CID 22408719) is diphenyl naphthalene-1,2-dicarboxylate.
What is the SMILES notation for diphenyl naphthalene-1,2-dicarboxylate?
The canonical SMILES for diphenyl naphthalene-1,2-dicarboxylate is O=C(Oc1ccccc1)c1ccc2ccccc2c1C(=O)Oc1ccccc1.
What is the InChIKey of diphenyl naphthalene-1,2-dicarboxylate?
The InChIKey is UPEZEZWAFHMKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O4/c25-23(27-18-10-3-1-4-11-18)21-16-15-17-9-7-8-14-20(17)22(21)24(26)28-19-12-5-2-6-13-19/h1-16H.
What are the key properties of diphenyl naphthalene-1,2-dicarboxylate?
diphenyl naphthalene-1,2-dicarboxylate has a molecular weight of 368.39 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl naphthalene-1,2-dicarboxylate is sourced from PubChem (CID 22408719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).