ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate

C18H20O3 — CID 59684927

IUPACethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1Cc1cccc(O)c1
InChIInChI=1S/C18H20O3/c1-2-21-18(20)11-10-15-7-3-4-8-16(15)12-14-6-5-9-17(19)13-14/h3-9,13,19H,2,10-12H2,1H3
InChIKeyWNZMKGYJJPCLOM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.48
Rot. Bonds6

About ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate

ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate (PubChem CID 59684927) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate
PubChem CID59684927
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Nameethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1Cc1cccc(O)c1
InChIInChI=1S/C18H20O3/c1-2-21-18(20)11-10-15-7-3-4-8-16(15)12-14-6-5-9-17(19)13-14/h3-9,13,19H,2,10-12H2,1H3
InChIKeyWNZMKGYJJPCLOM-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
2-[2-(3-ethoxy-3-oxopropyl)-6-methylphenyl]acetic acid
CID 134614862
ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate
CID 54984127
ethyl 3-[2-(cyanomethyl)-3-methylphenyl]propanoate
CID 134614860
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate
CID 139988094
ethyl 6-(2-methylphenyl)-4-oxohexanoate
CID 63900705
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
ethyl 2-[2-(3-oxobutyl)phenyl]acetate
CID 101402561
[2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium
CID 6947779

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate (CID 59684927) is ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate is CCOC(=O)CCc1ccccc1Cc1cccc(O)c1.
What is the InChIKey of ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate?
The InChIKey is WNZMKGYJJPCLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-21-18(20)11-10-15-7-3-4-8-16(15)12-14-6-5-9-17(19)13-14/h3-9,13,19H,2,10-12H2,1H3.
What are the key properties of ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate?
ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate has a molecular weight of 284.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate is sourced from PubChem (CID 59684927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).