ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate

C27H28O5 — CID 141184311

IUPACethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate
SMILESCCOC(=O)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C(=O)CC
InChIInChI=1S/C27H28O5/c1-3-24(28)27-22(16-26(29)30-4-2)15-23(31-18-20-11-7-5-8-12-20)17-25(27)32-19-21-13-9-6-10-14-21/h5-15,17H,3-4,16,18-19H2,1-2H3
InChIKeyKPNULEHSKHRXJI-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.54
Rot. Bonds11

About ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate

ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate (PubChem CID 141184311) has the molecular formula C27H28O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate
PubChem CID141184311
Molecular FormulaC27H28O5
Molecular Weight432.52 g/mol
Exact Mass432.19
IUPAC Nameethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate
SMILESCCOC(=O)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C(=O)CC
InChIInChI=1S/C27H28O5/c1-3-24(28)27-22(16-26(29)30-4-2)15-23(31-18-20-11-7-5-8-12-20)17-25(27)32-19-21-13-9-6-10-14-21/h5-15,17H,3-4,16,18-19H2,1-2H3
InChIKeyKPNULEHSKHRXJI-UHFFFAOYSA-N
XLogP5.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetic acid
CID 141320097
2-[2-pentanoyl-3,5-bis(phenylmethoxy)phenyl]acetic acid
CID 141320094
ethyl 2-[2-nonanoyl-3,4,5-tris(phenylmethoxy)phenyl]acetate
CID 141184839
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
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CID 86073966
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CID 69312280
ethyl 2-[2-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 11974612
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
ethyl 2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 24771790
ethyl 2-phenylacetate
CID 7590
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate?
The IUPAC name of ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate (CID 141184311) is ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate.
What is the SMILES notation for ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate?
The canonical SMILES for ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate is CCOC(=O)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C(=O)CC.
What is the InChIKey of ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate?
The InChIKey is KPNULEHSKHRXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O5/c1-3-24(28)27-22(16-26(29)30-4-2)15-23(31-18-20-11-7-5-8-12-20)17-25(27)32-19-21-13-9-6-10-14-21/h5-15,17H,3-4,16,18-19H2,1-2H3.
What are the key properties of ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate?
ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate has a molecular weight of 432.52 g/mol, XLogP of 5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate is sourced from PubChem (CID 141184311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).