methyl 2-(2-methoxyphenyl)-5-methylbenzoate

C16H16O3 — CID 11844440

IUPACmethyl 2-(2-methoxyphenyl)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1-c1ccccc1OC
InChIInChI=1S/C16H16O3/c1-11-8-9-12(14(10-11)16(17)19-3)13-6-4-5-7-15(13)18-2/h4-10H,1-3H3
InChIKeyHWARNKJQOHEXBO-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.46
Rot. Bonds3

About methyl 2-(2-methoxyphenyl)-5-methylbenzoate

methyl 2-(2-methoxyphenyl)-5-methylbenzoate (PubChem CID 11844440) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-(2-methoxyphenyl)-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyphenyl)-5-methylbenzoate
PubChem CID11844440
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-(2-methoxyphenyl)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1-c1ccccc1OC
InChIInChI=1S/C16H16O3/c1-11-8-9-12(14(10-11)16(17)19-3)13-6-4-5-7-15(13)18-2/h4-10H,1-3H3
InChIKeyHWARNKJQOHEXBO-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
methyl 2-(2-acetylphenyl)-4-methylbenzoate
CID 143835405
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
2-(2-methoxy-5-methylphenyl)benzamide
CID 66715055
methyl 5-amino-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 168665377
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
methyl 3-acetylazulene-1-carboxylate
CID 11241652

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyphenyl)-5-methylbenzoate?
The IUPAC name of methyl 2-(2-methoxyphenyl)-5-methylbenzoate (CID 11844440) is methyl 2-(2-methoxyphenyl)-5-methylbenzoate.
What is the SMILES notation for methyl 2-(2-methoxyphenyl)-5-methylbenzoate?
The canonical SMILES for methyl 2-(2-methoxyphenyl)-5-methylbenzoate is COC(=O)c1cc(C)ccc1-c1ccccc1OC.
What is the InChIKey of methyl 2-(2-methoxyphenyl)-5-methylbenzoate?
The InChIKey is HWARNKJQOHEXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-8-9-12(14(10-11)16(17)19-3)13-6-4-5-7-15(13)18-2/h4-10H,1-3H3.
What are the key properties of methyl 2-(2-methoxyphenyl)-5-methylbenzoate?
methyl 2-(2-methoxyphenyl)-5-methylbenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyphenyl)-5-methylbenzoate is sourced from PubChem (CID 11844440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).