methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate

C17H18O3 — CID 67528095

IUPACmethyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate
SMILESCOC(=O)CCc1cccc(-c2ccc(O)cc2C)c1
InChIInChI=1S/C17H18O3/c1-12-10-15(18)7-8-16(12)14-5-3-4-13(11-14)6-9-17(19)20-2/h3-5,7-8,10-11,18H,6,9H2,1-2H3
InChIKeyLMXAEAUMBUAFOL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.47
Rot. Bonds4

About methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate

methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate (PubChem CID 67528095) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate
PubChem CID67528095
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate
SMILESCOC(=O)CCc1cccc(-c2ccc(O)cc2C)c1
InChIInChI=1S/C17H18O3/c1-12-10-15(18)7-8-16(12)14-5-3-4-13(11-14)6-9-17(19)20-2/h3-5,7-8,10-11,18H,6,9H2,1-2H3
InChIKeyLMXAEAUMBUAFOL-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate
CID 58903192
methyl 3-[4-[[3-(4-hydroxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]propanoate
CID 57413460
methyl 4-(3-hydroxyphenyl)butanoate
CID 54142007
methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate
CID 146186663
methyl 3-[4-[[3-[2-methyl-4-(3-pyridin-2-ylpropoxy)phenyl]phenyl]methoxy]phenyl]propanoate
CID 58903135
methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
methyl 3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate
CID 91113479
methyl 3-[3-(methylamino)phenyl]propanoate
CID 119082922
methyl 4-(3-hydroxyphenyl)-3-methylbenzoate
CID 169272062
3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 170764195
ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate
CID 166450114
methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate
CID 23083192

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate?
The IUPAC name of methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate (CID 67528095) is methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate?
The canonical SMILES for methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate is COC(=O)CCc1cccc(-c2ccc(O)cc2C)c1.
What is the InChIKey of methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate?
The InChIKey is LMXAEAUMBUAFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-10-15(18)7-8-16(12)14-5-3-4-13(11-14)6-9-17(19)20-2/h3-5,7-8,10-11,18H,6,9H2,1-2H3.
What are the key properties of methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate?
methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate has a molecular weight of 270.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate is sourced from PubChem (CID 67528095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).