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

C20H18O4 — CID 19177831

IUPACnaphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H18O4/c1-2-22-17-9-11-18(12-10-17)23-14-20(21)24-19-8-7-15-5-3-4-6-16(15)13-19/h3-13H,2,14H2,1H3
InChIKeyLAFCEVFFLZMXGE-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.22
Rot. Bonds6

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

naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate (PubChem CID 19177831) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
PubChem CID19177831
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Namenaphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H18O4/c1-2-22-17-9-11-18(12-10-17)23-14-20(21)24-19-8-7-15-5-3-4-6-16(15)13-19/h3-13H,2,14H2,1H3
InChIKeyLAFCEVFFLZMXGE-UHFFFAOYSA-N
XLogP4.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.22
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-2-yl 2-(4-benzoylphenoxy)acetate
CID 7926828
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
CID 4095400
2-ethoxynaphthalene
CID 118978197
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911
naphthalen-2-yl 2-(3-acetamidophenoxy)acetate
CID 18870014
(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate
CID 4013099
ethoxyethane;2-ethoxynaphthalene
CID 118982387
3,3-dimethylbutan-2-yl 2-naphthalen-2-yloxyacetate
CID 86034979
(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate
CID 7581544
naphthalen-2-yl 3-aminopropanoate
CID 82113672

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate (CID 19177831) is naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate?
The InChIKey is LAFCEVFFLZMXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-2-22-17-9-11-18(12-10-17)23-14-20(21)24-19-8-7-15-5-3-4-6-16(15)13-19/h3-13H,2,14H2,1H3.
What are the key properties of naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate?
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate has a molecular weight of 322.36 g/mol, XLogP of 4.22, 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-ethoxyphenoxy)acetate is sourced from PubChem (CID 19177831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).