ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate

C21H26O4 — CID 145039195

IUPACethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
SMILESCC.COC(=O)C1CC(OC)(c2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C19H20O4.C2H6/c1-21-18(20)14-12-19(13-14,22-2)15-7-6-10-17(11-15)23-16-8-4-3-5-9-16;1-2/h3-11,14H,12-13H2,1-2H3;1-2H3
InChIKeyGEOZOSGYYPAHTH-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.93
Rot. Bonds5

About ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate

ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate (PubChem CID 145039195) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
PubChem CID145039195
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Nameethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
SMILESCC.COC(=O)C1CC(OC)(c2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C19H20O4.C2H6/c1-21-18(20)14-12-19(13-14,22-2)15-7-6-10-17(11-15)23-16-8-4-3-5-9-16;1-2/h3-11,14H,12-13H2,1-2H3;1-2H3
InChIKeyGEOZOSGYYPAHTH-UHFFFAOYSA-N
XLogP4.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-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

3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
CID 118951250
ethyl 3-hydroxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
CID 118951537
3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
CID 145039199
ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 143857791
methyl 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methoxy-1,2-dioxaspiro[3.3]heptane-6-carboxylate
CID 175617571
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
ethane;methyl 1-methyl-7-phenoxy-3,4-dihydroisoquinoline-3-carboxylate
CID 162385739
(3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
CID 56983106
methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate
CID 142258797
methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate
CID 134918881
trans-(1S,2S)-2-methoxycarbonyl-2-(3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 10172009

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate?
The IUPAC name of ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate (CID 145039195) is ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate?
The canonical SMILES for ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate is CC.COC(=O)C1CC(OC)(c2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate?
The InChIKey is GEOZOSGYYPAHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4.C2H6/c1-21-18(20)14-12-19(13-14,22-2)15-7-6-10-17(11-15)23-16-8-4-3-5-9-16;1-2/h3-11,14H,12-13H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate?
ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 145039195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).