(4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate

C26H20O4 — CID 19830306

IUPAC(4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate
SMILESCOc1ccc(C(=O)OC(=O)c2c(C)ccc3ccccc23)cc1-c1ccccc1
InChIInChI=1S/C26H20O4/c1-17-12-13-19-10-6-7-11-21(19)24(17)26(28)30-25(27)20-14-15-23(29-2)22(16-20)18-8-4-3-5-9-18/h3-16H,1-2H3
InChIKeyVUXZOFIHQDRMFH-UHFFFAOYSA-N
MW396.44 g/mol
LogP5.82
Rot. Bonds4

About (4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate

(4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate (PubChem CID 19830306) has the molecular formula C26H20O4 and a molecular weight of 396.44 g/mol. Its IUPAC name is (4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate.

Molecular Properties

Compound Name(4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate
PubChem CID19830306
Molecular FormulaC26H20O4
Molecular Weight396.44 g/mol
Exact Mass396.14
IUPAC Name(4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate
SMILESCOc1ccc(C(=O)OC(=O)c2c(C)ccc3ccccc23)cc1-c1ccccc1
InChIInChI=1S/C26H20O4/c1-17-12-13-19-10-6-7-11-21(19)24(17)26(28)30-25(27)20-14-15-23(29-2)22(16-20)18-8-4-3-5-9-18/h3-16H,1-2H3
InChIKeyVUXZOFIHQDRMFH-UHFFFAOYSA-N
XLogP5.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 4-methoxy-3-phenylbenzoate
CID 11010121
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
methyl 1-phenylphenanthrene-3-carboxylate
CID 14065000
4-(4-methoxy-3-phenylphenyl)-2-methylidene-4-oxobutanoic acid
CID 70638858
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate
CID 110424178
1-(4-methoxy-3-phenylphenyl)-5-phenylpentan-1-one
CID 24989559
4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
CID 49374963
(1-bromonaphthalen-2-yl) 3-iodo-4-methylbenzoate
CID 23011125
(1-bromonaphthalen-2-yl) 3-iodo-4-methoxybenzoate
CID 23010939

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate?
The IUPAC name of (4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate (CID 19830306) is (4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate.
What is the SMILES notation for (4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate?
The canonical SMILES for (4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate is COc1ccc(C(=O)OC(=O)c2c(C)ccc3ccccc23)cc1-c1ccccc1.
What is the InChIKey of (4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate?
The InChIKey is VUXZOFIHQDRMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O4/c1-17-12-13-19-10-6-7-11-21(19)24(17)26(28)30-25(27)20-14-15-23(29-2)22(16-20)18-8-4-3-5-9-18/h3-16H,1-2H3.
What are the key properties of (4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate?
(4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate is sourced from PubChem (CID 19830306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).