methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate

C19H18O4 — CID 9244181

IUPACmethyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C19H18O4/c1-22-17(20)14-8-10-16(11-9-14)23-18(21)19(12-5-13-19)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3
InChIKeyDXMMZGANGLTCQK-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.50
Rot. Bonds4

About methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate

methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate (PubChem CID 9244181) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate
PubChem CID9244181
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namemethyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C19H18O4/c1-22-17(20)14-8-10-16(11-9-14)23-18(21)19(12-5-13-19)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3
InChIKeyDXMMZGANGLTCQK-UHFFFAOYSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[1-[4-(hydroxycarbamoyl)phenoxy]carbonylcyclohexyl]benzoate
CID 10046348
(4-methoxyphenyl) 1-[4-(phenylmethoxycarbamoyl)phenyl]cyclohexane-1-carboxylate
CID 87731590
(4-methoxyphenyl) 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 166293705
methyl 4-(1-cyanocyclohexanecarbonyl)oxybenzoate
CID 60581856
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
methyl 4-chloro-3-[(1-phenylcyclobutanecarbonyl)amino]benzoate
CID 110438531
methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate
CID 19972787
anisole;methyl 4-methoxybenzoate
CID 158093995
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
(4-ethoxyphenyl)-(1-phenylcyclobutyl)methanone
CID 63410078
methyl 4-chloro-3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 100573422
methyl 4-[1-(hydroxymethyl)cyclobutyl]benzoate
CID 164643853

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate?
The IUPAC name of methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate (CID 9244181) is methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate.
What is the SMILES notation for methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate?
The canonical SMILES for methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate is COC(=O)c1ccc(OC(=O)C2(c3ccccc3)CCC2)cc1.
What is the InChIKey of methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate?
The InChIKey is DXMMZGANGLTCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-22-17(20)14-8-10-16(11-9-14)23-18(21)19(12-5-13-19)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3.
What are the key properties of methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate?
methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate has a molecular weight of 310.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate is sourced from PubChem (CID 9244181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).