naphthalen-2-yl 2-(4-benzoylphenoxy)acetate

C25H18O4 — CID 7926828

IUPACnaphthalen-2-yl 2-(4-benzoylphenoxy)acetate
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C25H18O4/c26-24(29-23-15-10-18-6-4-5-9-21(18)16-23)17-28-22-13-11-20(12-14-22)25(27)19-7-2-1-3-8-19/h1-16H,17H2
InChIKeySSRNBSACDYRKSJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.06
Rot. Bonds6

About naphthalen-2-yl 2-(4-benzoylphenoxy)acetate

naphthalen-2-yl 2-(4-benzoylphenoxy)acetate (PubChem CID 7926828) has the molecular formula C25H18O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is naphthalen-2-yl 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-(4-benzoylphenoxy)acetate
PubChem CID7926828
Molecular FormulaC25H18O4
Molecular Weight382.42 g/mol
Exact Mass382.12
IUPAC Namenaphthalen-2-yl 2-(4-benzoylphenoxy)acetate
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C25H18O4/c26-24(29-23-15-10-18-6-4-5-9-21(18)16-23)17-28-22-13-11-20(12-14-22)25(27)19-7-2-1-3-8-19/h1-16H,17H2
InChIKeySSRNBSACDYRKSJ-UHFFFAOYSA-N
XLogP5.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze naphthalen-2-yl 2-(4-benzoylphenoxy)acetate 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

(3,4-difluorophenyl) 2-(4-benzoylphenoxy)acetate
CID 8751820
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
(4-benzoylphenyl) 2-pyridin-4-yloxyacetate
CID 23732050
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911
(4-benzoylphenyl) 2-(4-nitrophenoxy)acetate
CID 1069094
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
CID 4095400
(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate
CID 4013099
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-(4-benzoylphenoxy)acetate?
The IUPAC name of naphthalen-2-yl 2-(4-benzoylphenoxy)acetate (CID 7926828) is naphthalen-2-yl 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for naphthalen-2-yl 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for naphthalen-2-yl 2-(4-benzoylphenoxy)acetate is O=C(COc1ccc(C(=O)c2ccccc2)cc1)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 2-(4-benzoylphenoxy)acetate?
The InChIKey is SSRNBSACDYRKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O4/c26-24(29-23-15-10-18-6-4-5-9-21(18)16-23)17-28-22-13-11-20(12-14-22)25(27)19-7-2-1-3-8-19/h1-16H,17H2.
What are the key properties of naphthalen-2-yl 2-(4-benzoylphenoxy)acetate?
naphthalen-2-yl 2-(4-benzoylphenoxy)acetate has a molecular weight of 382.42 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 7926828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).