[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate

C23H22O4 — CID 145141089

IUPAC[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(CCc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C23H22O4/c1-25-20-11-5-17(6-12-20)3-4-18-7-13-22(14-8-18)27-23(24)19-9-15-21(26-2)16-10-19/h5-16H,3-4H2,1-2H3
InChIKeyGGBLKQVYBSQERF-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.71
Rot. Bonds7

About [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate

[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate (PubChem CID 145141089) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
PubChem CID145141089
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(CCc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C23H22O4/c1-25-20-11-5-17(6-12-20)3-4-18-7-13-22(14-8-18)27-23(24)19-9-15-21(26-2)16-10-19/h5-16H,3-4H2,1-2H3
InChIKeyGGBLKQVYBSQERF-UHFFFAOYSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate 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

[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
CID 58090360
[4-[2-(4-propylphenyl)ethynyl]phenyl] 4-methoxybenzoate
CID 145128075
[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
CID 145097179
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
bis(4-butylphenyl) benzene-1,4-dicarboxylate
CID 624550
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
(4-methoxyphenyl) 4-(6-propanoyloxyhexyl)benzoate
CID 101128329
[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl] 4-methoxybenzoate
CID 7212632
[4-(4-propylphenyl)phenyl] 4-propylbenzoate
CID 54214420

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate (CID 145141089) is [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate is COc1ccc(CCc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate?
The InChIKey is GGBLKQVYBSQERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-25-20-11-5-17(6-12-20)3-4-18-7-13-22(14-8-18)27-23(24)19-9-15-21(26-2)16-10-19/h5-16H,3-4H2,1-2H3.
What are the key properties of [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate?
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate has a molecular weight of 362.43 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 145141089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).