methyl 2-methyl-4-phenylmethoxybenzoate

C16H16O3 — CID 21194710

IUPACmethyl 2-methyl-4-phenylmethoxybenzoate
SMILESCOC(=O)c1ccc(OCc2ccccc2)cc1C
InChIInChI=1S/C16H16O3/c1-12-10-14(8-9-15(12)16(17)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyPJRVYBUCIHQEJP-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.36
Rot. Bonds4

About methyl 2-methyl-4-phenylmethoxybenzoate

methyl 2-methyl-4-phenylmethoxybenzoate (PubChem CID 21194710) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-methyl-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-phenylmethoxybenzoate
PubChem CID21194710
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-methyl-4-phenylmethoxybenzoate
SMILESCOC(=O)c1ccc(OCc2ccccc2)cc1C
InChIInChI=1S/C16H16O3/c1-12-10-14(8-9-15(12)16(17)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyPJRVYBUCIHQEJP-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 2-hydroxy-4-[2-(4-phenylmethoxyphenyl)ethynyl]benzoate
CID 70231054
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554
methyl 2-(4-bromobutoxy)-4-phenylmethoxybenzoate
CID 54541902
methyl 4-phenylmethoxy-2-(trifluoromethylsulfonyloxy)benzoate
CID 10739136
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate
CID 175494414

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-phenylmethoxybenzoate?
The IUPAC name of methyl 2-methyl-4-phenylmethoxybenzoate (CID 21194710) is methyl 2-methyl-4-phenylmethoxybenzoate.
What is the SMILES notation for methyl 2-methyl-4-phenylmethoxybenzoate?
The canonical SMILES for methyl 2-methyl-4-phenylmethoxybenzoate is COC(=O)c1ccc(OCc2ccccc2)cc1C.
What is the InChIKey of methyl 2-methyl-4-phenylmethoxybenzoate?
The InChIKey is PJRVYBUCIHQEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-10-14(8-9-15(12)16(17)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-methyl-4-phenylmethoxybenzoate?
methyl 2-methyl-4-phenylmethoxybenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-phenylmethoxybenzoate is sourced from PubChem (CID 21194710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).