ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate

C27H28O4 — CID 141084341

IUPACethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)CC1
InChIInChI=1S/C27H28O4/c1-3-30-25(28)26(18-19-26)20-31-27(21-10-6-4-7-11-21,22-12-8-5-9-13-22)23-14-16-24(29-2)17-15-23/h4-17H,3,18-20H2,1-2H3
InChIKeyUKBYEBJPAPCMOE-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.35
Rot. Bonds9

About ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate

ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate (PubChem CID 141084341) has the molecular formula C27H28O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate
PubChem CID141084341
Molecular FormulaC27H28O4
Molecular Weight416.52 g/mol
Exact Mass416.20
IUPAC Nameethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)CC1
InChIInChI=1S/C27H28O4/c1-3-30-25(28)26(18-19-26)20-31-27(21-10-6-4-7-11-21,22-12-8-5-9-13-22)23-14-16-24(29-2)17-15-23/h4-17H,3,18-20H2,1-2H3
InChIKeyUKBYEBJPAPCMOE-UHFFFAOYSA-N
XLogP5.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-oxocyclopropane-1-carboxylic acid
CID 91050449
ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
CID 23075047
diethyl 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-2-(2,2-dimethylpropanoyloxy)propanedioate
CID 66672416
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
[(E)-4-[bis(4-methoxyphenyl)-phenylmethoxy]but-2-enyl] benzoate
CID 102509769
ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate
CID 132569331
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
4-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 18974823

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate (CID 141084341) is ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1(COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate?
The InChIKey is UKBYEBJPAPCMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O4/c1-3-30-25(28)26(18-19-26)20-31-27(21-10-6-4-7-11-21,22-12-8-5-9-13-22)23-14-16-24(29-2)17-15-23/h4-17H,3,18-20H2,1-2H3.
What are the key properties of ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate?
ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate has a molecular weight of 416.52 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 141084341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).