[4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate

C26H22O4 — CID 154707043

IUPAC[4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate
SMILESCOc1ccc(-c2cc(OC(=O)Cc3ccccc3)cc3ccccc23)cc1OC
InChIInChI=1S/C26H22O4/c1-28-24-13-12-20(16-25(24)29-2)23-17-21(15-19-10-6-7-11-22(19)23)30-26(27)14-18-8-4-3-5-9-18/h3-13,15-17H,14H2,1-2H3
InChIKeyUODJHLYQNMDKQA-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.67
Rot. Bonds6

About [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate

[4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate (PubChem CID 154707043) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate
PubChem CID154707043
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name[4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate
SMILESCOc1ccc(-c2cc(OC(=O)Cc3ccccc3)cc3ccccc23)cc1OC
InChIInChI=1S/C26H22O4/c1-28-24-13-12-20(16-25(24)29-2)23-17-21(15-19-10-6-7-11-22(19)23)30-26(27)14-18-8-4-3-5-9-18/h3-13,15-17H,14H2,1-2H3
InChIKeyUODJHLYQNMDKQA-UHFFFAOYSA-N
XLogP5.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-chloro-4-methoxyphenyl)naphthalen-2-yl]oxyacetamide
CID 175642212
(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7926501
(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 27846226
[4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate
CID 123134091
[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
CID 46702115
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
[4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate
CID 161446124
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
CID 4864831
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate?
The IUPAC name of [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate (CID 154707043) is [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate is COc1ccc(-c2cc(OC(=O)Cc3ccccc3)cc3ccccc23)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate?
The InChIKey is UODJHLYQNMDKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4/c1-28-24-13-12-20(16-25(24)29-2)23-17-21(15-19-10-6-7-11-22(19)23)30-26(27)14-18-8-4-3-5-9-18/h3-13,15-17H,14H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate?
[4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate has a molecular weight of 398.46 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate is sourced from PubChem (CID 154707043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).