naphthalen-1-yl 2-(4-methoxyphenoxy)acetate

C19H16O4 — CID 7913820

IUPACnaphthalen-1-yl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C19H16O4/c1-21-15-9-11-16(12-10-15)22-13-19(20)23-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3
InChIKeyGLCKAOZANIYRBU-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.83
Rot. Bonds5

About naphthalen-1-yl 2-(4-methoxyphenoxy)acetate

naphthalen-1-yl 2-(4-methoxyphenoxy)acetate (PubChem CID 7913820) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is naphthalen-1-yl 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-(4-methoxyphenoxy)acetate
PubChem CID7913820
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Namenaphthalen-1-yl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C19H16O4/c1-21-15-9-11-16(12-10-15)22-13-19(20)23-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3
InChIKeyGLCKAOZANIYRBU-UHFFFAOYSA-N
XLogP3.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.83
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

naphthalen-1-yl 2-methoxyacetate
CID 19894343
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471
naphthalen-1-yl 2-methoxyacetate;hydrochloride
CID 19894342
(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate
CID 4927357
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 23011174
[1-[(R)-acetamido-(4-methoxyphenyl)methyl]naphthalen-2-yl] 2-phenoxyacetate
CID 2225937
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
naphthalen-1-yl 2-chloroacetate
CID 588968

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-(4-methoxyphenoxy)acetate?
The IUPAC name of naphthalen-1-yl 2-(4-methoxyphenoxy)acetate (CID 7913820) is naphthalen-1-yl 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for naphthalen-1-yl 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for naphthalen-1-yl 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)Oc2cccc3ccccc23)cc1.
What is the InChIKey of naphthalen-1-yl 2-(4-methoxyphenoxy)acetate?
The InChIKey is GLCKAOZANIYRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-21-15-9-11-16(12-10-15)22-13-19(20)23-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3.
What are the key properties of naphthalen-1-yl 2-(4-methoxyphenoxy)acetate?
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate has a molecular weight of 308.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 7913820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).