methyl 4-(3-hydroxyphenyl)-3-methylbenzoate

C15H14O3 — CID 169272062

IUPACmethyl 4-(3-hydroxyphenyl)-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2cccc(O)c2)c(C)c1
InChIInChI=1S/C15H14O3/c1-10-8-12(15(17)18-2)6-7-14(10)11-4-3-5-13(16)9-11/h3-9,16H,1-2H3
InChIKeyKKXNXXFHACTQSX-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.15
Rot. Bonds2

About methyl 4-(3-hydroxyphenyl)-3-methylbenzoate

methyl 4-(3-hydroxyphenyl)-3-methylbenzoate (PubChem CID 169272062) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 4-(3-hydroxyphenyl)-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxyphenyl)-3-methylbenzoate
PubChem CID169272062
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl 4-(3-hydroxyphenyl)-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2cccc(O)c2)c(C)c1
InChIInChI=1S/C15H14O3/c1-10-8-12(15(17)18-2)6-7-14(10)11-4-3-5-13(16)9-11/h3-9,16H,1-2H3
InChIKeyKKXNXXFHACTQSX-UHFFFAOYSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
CID 22606889
methyl 4-(4-chlorophenyl)-3-methylbenzoate
CID 58610225
methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate
CID 56850366
3-(2,4-dimethylphenyl)phenol
CID 53218508
methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
CID 169271541
methyl 4-hydroxybenzoate;3-methylphenol
CID 174792609
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
methyl 3-amino-5-(3-hydroxyphenyl)benzoate
CID 164888360
methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999
methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate
CID 24766142
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
2-(3-methoxycarbonylphenyl)-6-methylbenzoic acid
CID 53227079

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxyphenyl)-3-methylbenzoate?
The IUPAC name of methyl 4-(3-hydroxyphenyl)-3-methylbenzoate (CID 169272062) is methyl 4-(3-hydroxyphenyl)-3-methylbenzoate.
What is the SMILES notation for methyl 4-(3-hydroxyphenyl)-3-methylbenzoate?
The canonical SMILES for methyl 4-(3-hydroxyphenyl)-3-methylbenzoate is COC(=O)c1ccc(-c2cccc(O)c2)c(C)c1.
What is the InChIKey of methyl 4-(3-hydroxyphenyl)-3-methylbenzoate?
The InChIKey is KKXNXXFHACTQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-8-12(15(17)18-2)6-7-14(10)11-4-3-5-13(16)9-11/h3-9,16H,1-2H3.
What are the key properties of methyl 4-(3-hydroxyphenyl)-3-methylbenzoate?
methyl 4-(3-hydroxyphenyl)-3-methylbenzoate has a molecular weight of 242.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxyphenyl)-3-methylbenzoate is sourced from PubChem (CID 169272062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).