[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate

C24H18O4 — CID 7786608

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C24H18O4/c1-27-19-12-10-16(11-13-19)22(25)15-28-24(26)23-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)23/h2-14H,15H2,1H3
InChIKeyFOIULMQVBSQCQG-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.04
Rot. Bonds5

About [2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate (PubChem CID 7786608) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate
PubChem CID7786608
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C24H18O4/c1-27-19-12-10-16(11-13-19)22(25)15-28-24(26)23-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)23/h2-14H,15H2,1H3
InChIKeyFOIULMQVBSQCQG-UHFFFAOYSA-N
XLogP5.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

phenacyl anthracene-9-carboxylate
CID 3297262
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate
CID 7786661
[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate
CID 805957
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
ethyl 4-[2-(anthracene-9-carbonyloxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2413548
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
[2-[di(propan-2-yl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 2511499
[2-(4-methoxyphenyl)-2-oxoethyl] 3,5-diacetamido-2,4,6-triiodobenzoate
CID 18991470
[2-(4-acetyloxyphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 3298622
(2-naphthalen-2-yl-2-oxoethyl) 3,4,5-trimethoxybenzoate
CID 40612973
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 2424741

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate (CID 7786608) is [2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate is COc1ccc(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate?
The InChIKey is FOIULMQVBSQCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-27-19-12-10-16(11-13-19)22(25)15-28-24(26)23-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)23/h2-14H,15H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate has a molecular weight of 370.40 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate is sourced from PubChem (CID 7786608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).