ethyl 2-[(4-phenylphenyl)methoxy]propanoate

C18H20O3 — CID 58354424

IUPACethyl 2-[(4-phenylphenyl)methoxy]propanoate
SMILESCCOC(=O)C(C)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-3-20-18(19)14(2)21-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyDCJHKEFYDLABAV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.82
Rot. Bonds6

About ethyl 2-[(4-phenylphenyl)methoxy]propanoate

ethyl 2-[(4-phenylphenyl)methoxy]propanoate (PubChem CID 58354424) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 2-[(4-phenylphenyl)methoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-phenylphenyl)methoxy]propanoate
PubChem CID58354424
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Nameethyl 2-[(4-phenylphenyl)methoxy]propanoate
SMILESCCOC(=O)C(C)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-3-20-18(19)14(2)21-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyDCJHKEFYDLABAV-UHFFFAOYSA-N
XLogP3.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-phenylphenyl)methoxy]propanoic acid
CID 104875216
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991
ethyl 2-[(3-bromophenyl)methoxy]propanoate
CID 82827861
phenyl 2-phenylmethoxypropanoate
CID 15731819
diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
CID 67230867
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
ethyl 4-amino-2-methylbutanoate;1-methyl-4-phenylbenzene
CID 145264208
ethane;(2S)-2-[2-[(2S)-2-[2-(2-phenylmethoxypropanoyloxy)propanoyloxy]propanoyl]oxypropanoyloxy]propanoic acid
CID 143088943
diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate
CID 173467023
phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate
CID 142680696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-phenylphenyl)methoxy]propanoate?
The IUPAC name of ethyl 2-[(4-phenylphenyl)methoxy]propanoate (CID 58354424) is ethyl 2-[(4-phenylphenyl)methoxy]propanoate.
What is the SMILES notation for ethyl 2-[(4-phenylphenyl)methoxy]propanoate?
The canonical SMILES for ethyl 2-[(4-phenylphenyl)methoxy]propanoate is CCOC(=O)C(C)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[(4-phenylphenyl)methoxy]propanoate?
The InChIKey is DCJHKEFYDLABAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-20-18(19)14(2)21-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3.
What are the key properties of ethyl 2-[(4-phenylphenyl)methoxy]propanoate?
ethyl 2-[(4-phenylphenyl)methoxy]propanoate has a molecular weight of 284.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-phenylphenyl)methoxy]propanoate is sourced from PubChem (CID 58354424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).