methyl 3-(phenylmethoxymethoxy)benzoate

C16H16O4 — CID 175253615

IUPACmethyl 3-(phenylmethoxymethoxy)benzoate
SMILESCOC(=O)c1cccc(OCOCc2ccccc2)c1
InChIInChI=1S/C16H16O4/c1-18-16(17)14-8-5-9-15(10-14)20-12-19-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
InChIKeyRWQBTHQDGKWVSW-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.03
Rot. Bonds6

About methyl 3-(phenylmethoxymethoxy)benzoate

methyl 3-(phenylmethoxymethoxy)benzoate (PubChem CID 175253615) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 3-(phenylmethoxymethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-(phenylmethoxymethoxy)benzoate
PubChem CID175253615
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 3-(phenylmethoxymethoxy)benzoate
SMILESCOC(=O)c1cccc(OCOCc2ccccc2)c1
InChIInChI=1S/C16H16O4/c1-18-16(17)14-8-5-9-15(10-14)20-12-19-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
InChIKeyRWQBTHQDGKWVSW-UHFFFAOYSA-N
XLogP3.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3-ethoxybenzoate
CID 3267781
methyl 3-(2-hydroxy-2-phenylethoxy)benzoate
CID 109414098
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
methyl 3-[(E)-3-phenylmethoxyprop-1-enyl]benzoate
CID 125468649
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
methyl 3-anilinooxybenzoate
CID 54183467
methyl 3-(2-iodoethoxy)benzoate
CID 10979673
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939820
methyl 4-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777368
methyl 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175693

Frequently Asked Questions

What is the IUPAC name of methyl 3-(phenylmethoxymethoxy)benzoate?
The IUPAC name of methyl 3-(phenylmethoxymethoxy)benzoate (CID 175253615) is methyl 3-(phenylmethoxymethoxy)benzoate.
What is the SMILES notation for methyl 3-(phenylmethoxymethoxy)benzoate?
The canonical SMILES for methyl 3-(phenylmethoxymethoxy)benzoate is COC(=O)c1cccc(OCOCc2ccccc2)c1.
What is the InChIKey of methyl 3-(phenylmethoxymethoxy)benzoate?
The InChIKey is RWQBTHQDGKWVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-16(17)14-8-5-9-15(10-14)20-12-19-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3.
What are the key properties of methyl 3-(phenylmethoxymethoxy)benzoate?
methyl 3-(phenylmethoxymethoxy)benzoate has a molecular weight of 272.30 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(phenylmethoxymethoxy)benzoate is sourced from PubChem (CID 175253615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).