[3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate

C18H16O4 — CID 75426483

IUPAC[3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate
SMILESCC1CC1C(=O)Oc1cccc(OC(=O)c2ccccc2)c1
InChIInChI=1S/C18H16O4/c1-12-10-16(12)18(20)22-15-9-5-8-14(11-15)21-17(19)13-6-3-2-4-7-13/h2-9,11-12,16H,10H2,1H3
InChIKeyUOWAHGANWRTXHB-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.47
Rot. Bonds4

About [3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate

[3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate (PubChem CID 75426483) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is [3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate.

Molecular Properties

Compound Name[3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate
PubChem CID75426483
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name[3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate
SMILESCC1CC1C(=O)Oc1cccc(OC(=O)c2ccccc2)c1
InChIInChI=1S/C18H16O4/c1-12-10-16(12)18(20)22-15-9-5-8-14(11-15)21-17(19)13-6-3-2-4-7-13/h2-9,11-12,16H,10H2,1H3
InChIKeyUOWAHGANWRTXHB-UHFFFAOYSA-N
XLogP3.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.47
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

[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
ethane;methane;(3-methoxyphenyl) benzoate;propan-2-one
CID 159464781
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
cis-(3-imidazol-1-ylphenyl) (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 95632471
[3-(3-trimethoxysilylpropoxy)phenyl] benzoate
CID 20509689
(3-butanoylphenyl) benzoate
CID 141249962
(3-ethenylphenyl) benzoate
CID 18762156
3-benzoyloxybenzenesulfonic acid
CID 14014369
[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
CID 6612290
[3-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
CID 4582342
cobalt(2+);phenyl benzoate;diacetate
CID 163661272

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate?
The IUPAC name of [3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate (CID 75426483) is [3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate.
What is the SMILES notation for [3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate?
The canonical SMILES for [3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate is CC1CC1C(=O)Oc1cccc(OC(=O)c2ccccc2)c1.
What is the InChIKey of [3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate?
The InChIKey is UOWAHGANWRTXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-12-10-16(12)18(20)22-15-9-5-8-14(11-15)21-17(19)13-6-3-2-4-7-13/h2-9,11-12,16H,10H2,1H3.
What are the key properties of [3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate?
[3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate has a molecular weight of 296.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate is sourced from PubChem (CID 75426483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).