methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate

C16H16O3 — CID 22606889

IUPACmethyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2cccc(O)c2C)c(C)c1
InChIInChI=1S/C16H16O3/c1-10-9-12(16(18)19-3)7-8-13(10)14-5-4-6-15(17)11(14)2/h4-9,17H,1-3H3
InChIKeyMGWXLRZFHDMQRV-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.46
Rot. Bonds2

About methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate

methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate (PubChem CID 22606889) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
PubChem CID22606889
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2cccc(O)c2C)c(C)c1
InChIInChI=1S/C16H16O3/c1-10-9-12(16(18)19-3)7-8-13(10)14-5-4-6-15(17)11(14)2/h4-9,17H,1-3H3
InChIKeyMGWXLRZFHDMQRV-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-hydroxyphenyl)-3-methylbenzoate
CID 169272062
methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate
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methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate
CID 67528907
ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate
CID 166940707
methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615
methyl 4-(4-chlorophenyl)-3-methylbenzoate
CID 58610225
methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate
CID 162377279
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate
CID 145449122
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
methyl 2-methyl-3,6-bis(2-methylphenyl)benzoate
CID 58232399

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate?
The IUPAC name of methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate (CID 22606889) is methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate.
What is the SMILES notation for methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate?
The canonical SMILES for methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate is COC(=O)c1ccc(-c2cccc(O)c2C)c(C)c1.
What is the InChIKey of methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate?
The InChIKey is MGWXLRZFHDMQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-10-9-12(16(18)19-3)7-8-13(10)14-5-4-6-15(17)11(14)2/h4-9,17H,1-3H3.
What are the key properties of methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate?
methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate is sourced from PubChem (CID 22606889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).