methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate

C15H18O3 — CID 145071818

IUPACmethyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate
SMILESC=C(OC)C1(C(=O)OC)CCC1c1ccccc1
InChIInChI=1S/C15H18O3/c1-11(17-2)15(14(16)18-3)10-9-13(15)12-7-5-4-6-8-12/h4-8,13H,1,9-10H2,2-3H3
InChIKeyLWTHUVPDHBUPLV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.88
Rot. Bonds4

About methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate

methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate (PubChem CID 145071818) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate
PubChem CID145071818
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Namemethyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate
SMILESC=C(OC)C1(C(=O)OC)CCC1c1ccccc1
InChIInChI=1S/C15H18O3/c1-11(17-2)15(14(16)18-3)10-9-13(15)12-7-5-4-6-8-12/h4-8,13H,1,9-10H2,2-3H3
InChIKeyLWTHUVPDHBUPLV-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
CID 102264441
cis-dimethyl (2R,3S)-2-deuterio-3-phenylcyclopropane-1,1-dicarboxylate
CID 24752248
(2R)-2-phenylcyclobutane-1,1-dicarboxylate
CID 7203604
dimethyl 2-(3-nitrophenyl)cyclobutane-1,1-dicarboxylate
CID 139350699
cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate
CID 44557655
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
cis-methyl (1S,2S)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557657
methyl (1R,3S,5S,8S)-3-methyl-1,5-diphenyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 134962694
1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 101387645
trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate
CID 102278456
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
cis-(1S,2S)-1-methyl-2-phenylcyclobutane-1-carboxylic acid
CID 99992019

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate (CID 145071818) is methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate is C=C(OC)C1(C(=O)OC)CCC1c1ccccc1.
What is the InChIKey of methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate?
The InChIKey is LWTHUVPDHBUPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11(17-2)15(14(16)18-3)10-9-13(15)12-7-5-4-6-8-12/h4-8,13H,1,9-10H2,2-3H3.
What are the key properties of methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate?
methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate is sourced from PubChem (CID 145071818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).