benzyl 3-methyl-4-phenylmethoxybenzoate

C22H20O3 — CID 123221197

IUPACbenzyl 3-methyl-4-phenylmethoxybenzoate
SMILESCc1cc(C(=O)OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C22H20O3/c1-17-14-20(22(23)25-16-19-10-6-3-7-11-19)12-13-21(17)24-15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3
InChIKeyCGJZIZKXVJKCOS-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.93
Rot. Bonds6

About benzyl 3-methyl-4-phenylmethoxybenzoate

benzyl 3-methyl-4-phenylmethoxybenzoate (PubChem CID 123221197) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is benzyl 3-methyl-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namebenzyl 3-methyl-4-phenylmethoxybenzoate
PubChem CID123221197
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Namebenzyl 3-methyl-4-phenylmethoxybenzoate
SMILESCc1cc(C(=O)OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C22H20O3/c1-17-14-20(22(23)25-16-19-10-6-3-7-11-19)12-13-21(17)24-15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3
InChIKeyCGJZIZKXVJKCOS-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
2-isocyano-1-(3-methyl-4-phenylmethoxyphenyl)ethanone
CID 88950115
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
(4-phenylphenyl)methyl 3,4-dimethylbenzoate
CID 7794291
ethyl 3,4-dihydroxybenzoate;ethyl 3-hydroxy-4-phenylmethoxybenzoate;methane
CID 158916697
(Z)-3-(dimethylamino)-2-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 166747703
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methyl-4-phenylmethoxybenzoate?
The IUPAC name of benzyl 3-methyl-4-phenylmethoxybenzoate (CID 123221197) is benzyl 3-methyl-4-phenylmethoxybenzoate.
What is the SMILES notation for benzyl 3-methyl-4-phenylmethoxybenzoate?
The canonical SMILES for benzyl 3-methyl-4-phenylmethoxybenzoate is Cc1cc(C(=O)OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of benzyl 3-methyl-4-phenylmethoxybenzoate?
The InChIKey is CGJZIZKXVJKCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-17-14-20(22(23)25-16-19-10-6-3-7-11-19)12-13-21(17)24-15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3.
What are the key properties of benzyl 3-methyl-4-phenylmethoxybenzoate?
benzyl 3-methyl-4-phenylmethoxybenzoate has a molecular weight of 332.40 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methyl-4-phenylmethoxybenzoate is sourced from PubChem (CID 123221197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).