phenyl 4-[(4-methylphenoxy)methoxy]benzoate

C21H18O4 — CID 21306270

IUPACphenyl 4-[(4-methylphenoxy)methoxy]benzoate
SMILESCc1ccc(OCOc2ccc(C(=O)Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18O4/c1-16-7-11-18(12-8-16)23-15-24-19-13-9-17(10-14-19)21(22)25-20-5-3-2-4-6-20/h2-14H,15H2,1H3
InChIKeyWSRFYOVWRRGFDO-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.63
Rot. Bonds6

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

phenyl 4-[(4-methylphenoxy)methoxy]benzoate (PubChem CID 21306270) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is phenyl 4-[(4-methylphenoxy)methoxy]benzoate.

Molecular Properties

Compound Namephenyl 4-[(4-methylphenoxy)methoxy]benzoate
PubChem CID21306270
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Namephenyl 4-[(4-methylphenoxy)methoxy]benzoate
SMILESCc1ccc(OCOc2ccc(C(=O)Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18O4/c1-16-7-11-18(12-8-16)23-15-24-19-13-9-17(10-14-19)21(22)25-20-5-3-2-4-6-20/h2-14H,15H2,1H3
InChIKeyWSRFYOVWRRGFDO-UHFFFAOYSA-N
XLogP4.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenyl 4-[(4-methylphenoxy)methoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;[4-[(4-methylphenoxy)methoxy]phenyl] 4-methylbenzoate
CID 90859529
[4-(phenoxymethoxy)phenyl] benzoate
CID 20724331
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
heptane;phenyl 4-methylbenzoate
CID 174915519
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
(4-methylphenoxy)methyl benzoate
CID 10444404
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
(4-methylphenyl) 4-butoxybenzoate
CID 23011518
phenyl 4-[5-(4-phenoxycarbonylphenoxy)pentoxy]benzoate
CID 134820825
1-methyl-4-[(4-methylphenoxy)methoxy]benzene;1-methyl-4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]benzene
CID 158021334
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[(4-methylphenoxy)methoxy]benzoate?
The IUPAC name of phenyl 4-[(4-methylphenoxy)methoxy]benzoate (CID 21306270) is phenyl 4-[(4-methylphenoxy)methoxy]benzoate.
What is the SMILES notation for phenyl 4-[(4-methylphenoxy)methoxy]benzoate?
The canonical SMILES for phenyl 4-[(4-methylphenoxy)methoxy]benzoate is Cc1ccc(OCOc2ccc(C(=O)Oc3ccccc3)cc2)cc1.
What is the InChIKey of phenyl 4-[(4-methylphenoxy)methoxy]benzoate?
The InChIKey is WSRFYOVWRRGFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-16-7-11-18(12-8-16)23-15-24-19-13-9-17(10-14-19)21(22)25-20-5-3-2-4-6-20/h2-14H,15H2,1H3.
What are the key properties of phenyl 4-[(4-methylphenoxy)methoxy]benzoate?
phenyl 4-[(4-methylphenoxy)methoxy]benzoate has a molecular weight of 334.37 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[(4-methylphenoxy)methoxy]benzoate is sourced from PubChem (CID 21306270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).