methyl 4-[bis(phenylmethoxy)methoxy]benzoate

C23H22O5 — CID 142638924

IUPACmethyl 4-[bis(phenylmethoxy)methoxy]benzoate
SMILESCOC(=O)c1ccc(OC(OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C23H22O5/c1-25-22(24)20-12-14-21(15-13-20)28-23(26-16-18-8-4-2-5-9-18)27-17-19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3
InChIKeySSSGNJXNLIKXSD-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.57
Rot. Bonds9

About methyl 4-[bis(phenylmethoxy)methoxy]benzoate

methyl 4-[bis(phenylmethoxy)methoxy]benzoate (PubChem CID 142638924) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is methyl 4-[bis(phenylmethoxy)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[bis(phenylmethoxy)methoxy]benzoate
PubChem CID142638924
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Namemethyl 4-[bis(phenylmethoxy)methoxy]benzoate
SMILESCOC(=O)c1ccc(OC(OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C23H22O5/c1-25-22(24)20-12-14-21(15-13-20)28-23(26-16-18-8-4-2-5-9-18)27-17-19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3
InChIKeySSSGNJXNLIKXSD-UHFFFAOYSA-N
XLogP4.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
benzyl 4-propan-2-yloxybenzoate
CID 70079883
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate
CID 7542209
methyl 4-[[(2S)-2-amino-3-phenylpropoxy]methyl]benzoate
CID 66837240
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-(2-chloro-3-oxo-3-phenylmethoxypropanoyl)benzoate
CID 86760570
methyl 4-[(2-hydroxy-3-phenylmethoxypropyl)-methylamino]benzoate
CID 3810253
methyl 4-[[(2S)-2-amino-3-phenylpropoxy]methyl]benzoate;hydrochloride
CID 86698259

Frequently Asked Questions

What is the IUPAC name of methyl 4-[bis(phenylmethoxy)methoxy]benzoate?
The IUPAC name of methyl 4-[bis(phenylmethoxy)methoxy]benzoate (CID 142638924) is methyl 4-[bis(phenylmethoxy)methoxy]benzoate.
What is the SMILES notation for methyl 4-[bis(phenylmethoxy)methoxy]benzoate?
The canonical SMILES for methyl 4-[bis(phenylmethoxy)methoxy]benzoate is COC(=O)c1ccc(OC(OCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of methyl 4-[bis(phenylmethoxy)methoxy]benzoate?
The InChIKey is SSSGNJXNLIKXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5/c1-25-22(24)20-12-14-21(15-13-20)28-23(26-16-18-8-4-2-5-9-18)27-17-19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3.
What are the key properties of methyl 4-[bis(phenylmethoxy)methoxy]benzoate?
methyl 4-[bis(phenylmethoxy)methoxy]benzoate has a molecular weight of 378.42 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[bis(phenylmethoxy)methoxy]benzoate is sourced from PubChem (CID 142638924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).