benzyl 3,5-dimethyl-4-phenylmethoxybenzoate

C23H22O3 — CID 59301811

IUPACbenzyl 3,5-dimethyl-4-phenylmethoxybenzoate
SMILESCc1cc(C(=O)OCc2ccccc2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C23H22O3/c1-17-13-21(23(24)26-16-20-11-7-4-8-12-20)14-18(2)22(17)25-15-19-9-5-3-6-10-19/h3-14H,15-16H2,1-2H3
InChIKeyPWFURKSAXBFQOF-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.24
Rot. Bonds6

About benzyl 3,5-dimethyl-4-phenylmethoxybenzoate

benzyl 3,5-dimethyl-4-phenylmethoxybenzoate (PubChem CID 59301811) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is benzyl 3,5-dimethyl-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namebenzyl 3,5-dimethyl-4-phenylmethoxybenzoate
PubChem CID59301811
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Namebenzyl 3,5-dimethyl-4-phenylmethoxybenzoate
SMILESCc1cc(C(=O)OCc2ccccc2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C23H22O3/c1-17-13-21(23(24)26-16-20-11-7-4-8-12-20)14-18(2)22(17)25-15-19-9-5-3-6-10-19/h3-14H,15-16H2,1-2H3
InChIKeyPWFURKSAXBFQOF-UHFFFAOYSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
benzyl 3,5-dimethylbenzoate
CID 54359872
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
tert-butyl 3-ethyl-5-methyl-4-phenylmethoxybenzoate
CID 66932009
(4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 142600396
benzyl benzoate
CID 2345
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 10-methylacridin-10-ium-9-carboxylate
CID 14855202
methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
CID 99965462
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633

Frequently Asked Questions

What is the IUPAC name of benzyl 3,5-dimethyl-4-phenylmethoxybenzoate?
The IUPAC name of benzyl 3,5-dimethyl-4-phenylmethoxybenzoate (CID 59301811) is benzyl 3,5-dimethyl-4-phenylmethoxybenzoate.
What is the SMILES notation for benzyl 3,5-dimethyl-4-phenylmethoxybenzoate?
The canonical SMILES for benzyl 3,5-dimethyl-4-phenylmethoxybenzoate is Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OCc1ccccc1.
What is the InChIKey of benzyl 3,5-dimethyl-4-phenylmethoxybenzoate?
The InChIKey is PWFURKSAXBFQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-17-13-21(23(24)26-16-20-11-7-4-8-12-20)14-18(2)22(17)25-15-19-9-5-3-6-10-19/h3-14H,15-16H2,1-2H3.
What are the key properties of benzyl 3,5-dimethyl-4-phenylmethoxybenzoate?
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate has a molecular weight of 346.43 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,5-dimethyl-4-phenylmethoxybenzoate is sourced from PubChem (CID 59301811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).