naphthalen-2-yl 4-(2-phenylethoxy)benzoate

C25H20O3 — CID 23012279

IUPACnaphthalen-2-yl 4-(2-phenylethoxy)benzoate
SMILESO=C(Oc1ccc2ccccc2c1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C25H20O3/c26-25(28-24-15-10-20-8-4-5-9-22(20)18-24)21-11-13-23(14-12-21)27-17-16-19-6-2-1-3-7-19/h1-15,18H,16-17H2
InChIKeyIEYFONVGZBDYCI-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.68
Rot. Bonds6

About naphthalen-2-yl 4-(2-phenylethoxy)benzoate

naphthalen-2-yl 4-(2-phenylethoxy)benzoate (PubChem CID 23012279) has the molecular formula C25H20O3 and a molecular weight of 368.43 g/mol. Its IUPAC name is naphthalen-2-yl 4-(2-phenylethoxy)benzoate.

Molecular Properties

Compound Namenaphthalen-2-yl 4-(2-phenylethoxy)benzoate
PubChem CID23012279
Molecular FormulaC25H20O3
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Namenaphthalen-2-yl 4-(2-phenylethoxy)benzoate
SMILESO=C(Oc1ccc2ccccc2c1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C25H20O3/c26-25(28-24-15-10-20-8-4-5-9-22(20)18-24)21-11-13-23(14-12-21)27-17-16-19-6-2-1-3-7-19/h1-15,18H,16-17H2
InChIKeyIEYFONVGZBDYCI-UHFFFAOYSA-N
XLogP5.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl 3-[4-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17162299
naphthalen-2-yl 4-hexoxybenzoate
CID 23011426
2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate
CID 142376943
naphthalen-2-yl 4-butylbenzoate
CID 532284
naphthalen-2-yl 4-methoxybenzoate
CID 532400
(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
CID 23012287
naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
CID 58741740
[3-(2-phenylethoxycarbonyl)phenyl] 3-(2-phenoxyethoxy)benzoate
CID 17162297
methyl 3-bromo-4-[4-(2-phenylethoxy)benzoyl]oxybenzoate
CID 23012301
phenyl 4-[5-(4-phenoxycarbonylphenoxy)pentoxy]benzoate
CID 134820825
2-(3-phenylpropoxy)naphthalene
CID 13432986
(3-methylphenyl) 4-(2-phenoxyethoxy)benzoate
CID 23011970

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 4-(2-phenylethoxy)benzoate?
The IUPAC name of naphthalen-2-yl 4-(2-phenylethoxy)benzoate (CID 23012279) is naphthalen-2-yl 4-(2-phenylethoxy)benzoate.
What is the SMILES notation for naphthalen-2-yl 4-(2-phenylethoxy)benzoate?
The canonical SMILES for naphthalen-2-yl 4-(2-phenylethoxy)benzoate is O=C(Oc1ccc2ccccc2c1)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of naphthalen-2-yl 4-(2-phenylethoxy)benzoate?
The InChIKey is IEYFONVGZBDYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O3/c26-25(28-24-15-10-20-8-4-5-9-22(20)18-24)21-11-13-23(14-12-21)27-17-16-19-6-2-1-3-7-19/h1-15,18H,16-17H2.
What are the key properties of naphthalen-2-yl 4-(2-phenylethoxy)benzoate?
naphthalen-2-yl 4-(2-phenylethoxy)benzoate has a molecular weight of 368.43 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 4-(2-phenylethoxy)benzoate is sourced from PubChem (CID 23012279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).