ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate

C28H30O5 — CID 23075047

IUPACethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C28H30O5/c1-4-32-27(29)26-18-20(26)19-33-28(21-8-6-5-7-9-21,22-10-14-24(30-2)15-11-22)23-12-16-25(31-3)17-13-23/h5-17,20,26H,4,18-19H2,1-3H3
InChIKeyXPHTUAICLDEYTM-UHFFFAOYSA-N
MW446.54 g/mol
LogP5.21
Rot. Bonds10

About ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate

ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate (PubChem CID 23075047) has the molecular formula C28H30O5 and a molecular weight of 446.54 g/mol. Its IUPAC name is ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
PubChem CID23075047
Molecular FormulaC28H30O5
Molecular Weight446.54 g/mol
Exact Mass446.21
IUPAC Nameethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C28H30O5/c1-4-32-27(29)26-18-20(26)19-33-28(21-8-6-5-7-9-21,22-10-14-24(30-2)15-11-22)23-12-16-25(31-3)17-13-23/h5-17,20,26H,4,18-19H2,1-3H3
InChIKeyXPHTUAICLDEYTM-UHFFFAOYSA-N
XLogP5.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.54
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2,6-ditert-butyl-4-methylphenyl) 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
CID 23075000
ethyl 2-methyl-3-[tris(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carboxylate
CID 139988302
cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
CID 142479617
ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate
CID 141084341
N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide
CID 165010410
[(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate
CID 23244298
diethyl 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-2-(2,2-dimethylpropanoyloxy)propanedioate
CID 66672416
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate (CID 23075047) is ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate?
The InChIKey is XPHTUAICLDEYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O5/c1-4-32-27(29)26-18-20(26)19-33-28(21-8-6-5-7-9-21,22-10-14-24(30-2)15-11-22)23-12-16-25(31-3)17-13-23/h5-17,20,26H,4,18-19H2,1-3H3.
What are the key properties of ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate?
ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate has a molecular weight of 446.54 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 23075047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).