methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate

C18H20O3 — CID 18957451

IUPACmethyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate
SMILESCOC(=O)C(C)c1cccc(C(OC)c2ccccc2)c1
InChIInChI=1S/C18H20O3/c1-13(18(19)21-3)15-10-7-11-16(12-15)17(20-2)14-8-5-4-6-9-14/h4-13,17H,1-3H3
InChIKeyTUMVTBDLULPZRX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.70
Rot. Bonds5

About methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate

methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate (PubChem CID 18957451) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate
PubChem CID18957451
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate
SMILESCOC(=O)C(C)c1cccc(C(OC)c2ccccc2)c1
InChIInChI=1S/C18H20O3/c1-13(18(19)21-3)15-10-7-11-16(12-15)17(20-2)14-8-5-4-6-9-14/h4-13,17H,1-3H3
InChIKeyTUMVTBDLULPZRX-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate?
The IUPAC name of methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate (CID 18957451) is methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate.
What is the SMILES notation for methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate?
The canonical SMILES for methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate is COC(=O)C(C)c1cccc(C(OC)c2ccccc2)c1.
What is the InChIKey of methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate?
The InChIKey is TUMVTBDLULPZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(18(19)21-3)15-10-7-11-16(12-15)17(20-2)14-8-5-4-6-9-14/h4-13,17H,1-3H3.
What are the key properties of methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate?
methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate has a molecular weight of 284.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[methoxy(phenyl)methyl]phenyl]propanoate is sourced from PubChem (CID 18957451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).