methyl 3-hydroxy-5-(4-methylphenoxy)benzoate

C15H14O4 — CID 142720268

IUPACmethyl 3-hydroxy-5-(4-methylphenoxy)benzoate
SMILESCOC(=O)c1cc(O)cc(Oc2ccc(C)cc2)c1
InChIInChI=1S/C15H14O4/c1-10-3-5-13(6-4-10)19-14-8-11(15(17)18-2)7-12(16)9-14/h3-9,16H,1-2H3
InChIKeyCOSYWBZWZCTPJK-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.28
Rot. Bonds3

About methyl 3-hydroxy-5-(4-methylphenoxy)benzoate

methyl 3-hydroxy-5-(4-methylphenoxy)benzoate (PubChem CID 142720268) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 3-hydroxy-5-(4-methylphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-(4-methylphenoxy)benzoate
PubChem CID142720268
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namemethyl 3-hydroxy-5-(4-methylphenoxy)benzoate
SMILESCOC(=O)c1cc(O)cc(Oc2ccc(C)cc2)c1
InChIInChI=1S/C15H14O4/c1-10-3-5-13(6-4-10)19-14-8-11(15(17)18-2)7-12(16)9-14/h3-9,16H,1-2H3
InChIKeyCOSYWBZWZCTPJK-UHFFFAOYSA-N
XLogP3.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
[3-(3,5-dihydroxybenzoyl)oxy-5-(4-methylphenoxy)carbonylphenyl] 3,5-dihydroxybenzoate
CID 58912231
methyl 3-hydroxy-5-(hydroxymethoxy)benzoate
CID 143054476
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 4-amino-3-(4-methylphenoxy)benzoate
CID 79017162
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 3-carbonochloridoyl-5-hydroxybenzoate
CID 45081214
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
butan-2-yl 3,5-bis(4-methylphenoxy)benzoate;ethane
CID 144517787
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
bromoethane;dimethyl 5-hydroxybenzene-1,3-dicarboxylate
CID 175420883

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-(4-methylphenoxy)benzoate?
The IUPAC name of methyl 3-hydroxy-5-(4-methylphenoxy)benzoate (CID 142720268) is methyl 3-hydroxy-5-(4-methylphenoxy)benzoate.
What is the SMILES notation for methyl 3-hydroxy-5-(4-methylphenoxy)benzoate?
The canonical SMILES for methyl 3-hydroxy-5-(4-methylphenoxy)benzoate is COC(=O)c1cc(O)cc(Oc2ccc(C)cc2)c1.
What is the InChIKey of methyl 3-hydroxy-5-(4-methylphenoxy)benzoate?
The InChIKey is COSYWBZWZCTPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-10-3-5-13(6-4-10)19-14-8-11(15(17)18-2)7-12(16)9-14/h3-9,16H,1-2H3.
What are the key properties of methyl 3-hydroxy-5-(4-methylphenoxy)benzoate?
methyl 3-hydroxy-5-(4-methylphenoxy)benzoate has a molecular weight of 258.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-(4-methylphenoxy)benzoate is sourced from PubChem (CID 142720268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).