(4-phenylphenyl)methyl 2-methoxybenzoate

C21H18O3 — CID 18290046

IUPAC(4-phenylphenyl)methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c1-23-20-10-6-5-9-19(20)21(22)24-15-16-11-13-18(14-12-16)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyNRQZEUIZDOBHSJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.72
Rot. Bonds5

About (4-phenylphenyl)methyl 2-methoxybenzoate

(4-phenylphenyl)methyl 2-methoxybenzoate (PubChem CID 18290046) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 2-methoxybenzoate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 2-methoxybenzoate
PubChem CID18290046
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(4-phenylphenyl)methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c1-23-20-10-6-5-9-19(20)21(22)24-15-16-11-13-18(14-12-16)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyNRQZEUIZDOBHSJ-UHFFFAOYSA-N
XLogP4.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-phenylphenyl)methyl 2-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-phenylphenyl)methyl 5-chloro-2-methoxybenzoate
CID 7235683
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
(4-phenylphenyl)methyl 2,3-dimethylbenzoate
CID 7765271
(4-phenylphenyl)methyl 2-fluoro-4-methoxybenzoate
CID 7490992
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
(4-methylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2438152
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate
CID 69296077
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[3-(2-methoxybenzoyl)oxy-2,2-bis[(2-methoxybenzoyl)oxymethyl]propyl] 2-methoxybenzoate
CID 54498561
1-methoxy-2-[(4-phenylphenyl)methoxy]benzene
CID 67858860

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 2-methoxybenzoate?
The IUPAC name of (4-phenylphenyl)methyl 2-methoxybenzoate (CID 18290046) is (4-phenylphenyl)methyl 2-methoxybenzoate.
What is the SMILES notation for (4-phenylphenyl)methyl 2-methoxybenzoate?
The canonical SMILES for (4-phenylphenyl)methyl 2-methoxybenzoate is COc1ccccc1C(=O)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 2-methoxybenzoate?
The InChIKey is NRQZEUIZDOBHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-23-20-10-6-5-9-19(20)21(22)24-15-16-11-13-18(14-12-16)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of (4-phenylphenyl)methyl 2-methoxybenzoate?
(4-phenylphenyl)methyl 2-methoxybenzoate has a molecular weight of 318.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 2-methoxybenzoate is sourced from PubChem (CID 18290046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).