methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate

C18H20O3 — CID 99965462

IUPACmethyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(C)c(OCc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C18H20O3/c1-12-5-7-15(8-6-12)11-21-17-13(2)9-16(10-14(17)3)18(19)20-4/h5-10H,11H2,1-4H3
InChIKeyWGCJQJLGQLEQSE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.98
Rot. Bonds4

About methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate

methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate (PubChem CID 99965462) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
PubChem CID99965462
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(C)c(OCc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C18H20O3/c1-12-5-7-15(8-6-12)11-21-17-13(2)9-16(10-14(17)3)18(19)20-4/h5-10H,11H2,1-4H3
InChIKeyWGCJQJLGQLEQSE-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 65478013
methyl 8-bromo-4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 4059731
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
CID 90391979
methyl 3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxybenzoate
CID 91679930
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzonitrile
CID 65472094
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one
CID 82051586
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682250

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate?
The IUPAC name of methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate (CID 99965462) is methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate?
The canonical SMILES for methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate is COC(=O)c1cc(C)c(OCc2ccc(C)cc2)c(C)c1.
What is the InChIKey of methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate?
The InChIKey is WGCJQJLGQLEQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-5-7-15(8-6-12)11-21-17-13(2)9-16(10-14(17)3)18(19)20-4/h5-10H,11H2,1-4H3.
What are the key properties of methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate?
methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 99965462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).