ethyl 4-[methoxy(phenyl)methoxy]benzoate

C17H18O4 — CID 174429075

IUPACethyl 4-[methoxy(phenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OC(OC)c2ccccc2)cc1
InChIInChI=1S/C17H18O4/c1-3-20-16(18)13-9-11-15(12-10-13)21-17(19-2)14-7-5-4-6-8-14/h4-12,17H,3H2,1-2H3
InChIKeyAHJWIAXUWSJLAB-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.59
Rot. Bonds6

About ethyl 4-[methoxy(phenyl)methoxy]benzoate

ethyl 4-[methoxy(phenyl)methoxy]benzoate (PubChem CID 174429075) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 4-[methoxy(phenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[methoxy(phenyl)methoxy]benzoate
PubChem CID174429075
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Nameethyl 4-[methoxy(phenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OC(OC)c2ccccc2)cc1
InChIInChI=1S/C17H18O4/c1-3-20-16(18)13-9-11-15(12-10-13)21-17(19-2)14-7-5-4-6-8-14/h4-12,17H,3H2,1-2H3
InChIKeyAHJWIAXUWSJLAB-UHFFFAOYSA-N
XLogP3.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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ethyl 4-[3-(1,3-dioxoisoindol-2-yl)-1-phenylpropoxy]benzoate
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ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-(1-bromopropyl)benzoate
CID 145000592
chloroethane;ethyl benzoate
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ethyl benzoate;toluene
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(4-ethoxycarbonylphenyl)-triphenylphosphanium chloride
CID 86174143
ethyl 4-(1-cyanoethoxy)benzoate
CID 60644267
2,3-diethylbutanedioic acid;ethyl 4-methoxybenzoate
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methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methoxy(phenyl)methoxy]benzoate?
The IUPAC name of ethyl 4-[methoxy(phenyl)methoxy]benzoate (CID 174429075) is ethyl 4-[methoxy(phenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-[methoxy(phenyl)methoxy]benzoate?
The canonical SMILES for ethyl 4-[methoxy(phenyl)methoxy]benzoate is CCOC(=O)c1ccc(OC(OC)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[methoxy(phenyl)methoxy]benzoate?
The InChIKey is AHJWIAXUWSJLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-20-16(18)13-9-11-15(12-10-13)21-17(19-2)14-7-5-4-6-8-14/h4-12,17H,3H2,1-2H3.
What are the key properties of ethyl 4-[methoxy(phenyl)methoxy]benzoate?
ethyl 4-[methoxy(phenyl)methoxy]benzoate has a molecular weight of 286.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methoxy(phenyl)methoxy]benzoate is sourced from PubChem (CID 174429075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).