[2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate

C24H24O4 — CID 146390583

IUPAC[2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(Oc2ccc3cc(-c4ccccc4)oc3c2)C1(C)C
InChIInChI=1S/C24H24O4/c1-4-23(25)28-22-13-12-21(24(22,2)3)26-18-11-10-17-14-19(27-20(17)15-18)16-8-6-5-7-9-16/h4-11,14-15,21-22H,1,12-13H2,2-3H3
InChIKeyOAMSOZNCAZYSJT-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.76
Rot. Bonds5

About [2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate

[2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate (PubChem CID 146390583) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is [2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate.

Molecular Properties

Compound Name[2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate
PubChem CID146390583
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name[2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(Oc2ccc3cc(-c4ccccc4)oc3c2)C1(C)C
InChIInChI=1S/C24H24O4/c1-4-23(25)28-22-13-12-21(24(22,2)3)26-18-11-10-17-14-19(27-20(17)15-18)16-8-6-5-7-9-16/h4-11,14-15,21-22H,1,12-13H2,2-3H3
InChIKeyOAMSOZNCAZYSJT-UHFFFAOYSA-N
XLogP5.76
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-(3-hydroxy-2,2-dimethylcyclopentyl)oxy-3-phenylchromen-2-one
CID 157074824
[3-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-2-methyl-2-(trifluoromethyl)cyclopentyl] prop-2-enoate
CID 155262418
[2-methyl-3-(2-oxo-3-phenylchromen-7-yl)oxy-2-(trifluoromethyl)cyclopentyl] 2-methylprop-2-enoate
CID 155262500
[3-[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxy-2,2-dimethylcyclopentyl] prop-2-enoate
CID 162253115
[2,2-dimethyl-3-(1-pentyl-2-phenylindol-6-yl)oxycyclopentyl] 2-methylprop-2-enoate
CID 161027694
[3-(2-oxo-3-phenylchromen-7-yl)oxy-2-(trifluoromethyl)cyclopentyl] 1,2,3,3-tetramethylaziridine-2-carboxylate
CID 155262648
[3-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]oxy]-2-(trifluoromethyl)cyclopentyl] prop-2-enoate
CID 146390582
[4-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]oxy]-2-methyl-4-sulfanylpentan-2-yl] prop-2-enoate
CID 170412492
[3-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-2-methyl-2-(trifluoromethyl)cyclopentyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 155262438
[3-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]oxy]-2-(trifluoromethyl)cyclopentyl] 2-methylprop-2-enoate
CID 146390990
ethane;[(E)-8-(2-oxo-3-phenylchromen-7-yl)oxyoct-4-enyl] prop-2-enoate
CID 145263388
4-[[2-[4-(4-prop-2-enoyloxybutoxysulfonyl)phenyl]-1-benzofuran-6-yl]oxy]butyl prop-2-enoate
CID 151563868

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate?
The IUPAC name of [2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate (CID 146390583) is [2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate.
What is the SMILES notation for [2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate?
The canonical SMILES for [2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate is C=CC(=O)OC1CCC(Oc2ccc3cc(-c4ccccc4)oc3c2)C1(C)C.
What is the InChIKey of [2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate?
The InChIKey is OAMSOZNCAZYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-4-23(25)28-22-13-12-21(24(22,2)3)26-18-11-10-17-14-19(27-20(17)15-18)16-8-6-5-7-9-16/h4-11,14-15,21-22H,1,12-13H2,2-3H3.
What are the key properties of [2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate?
[2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate has a molecular weight of 376.45 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-[(2-phenyl-1-benzofuran-6-yl)oxy]cyclopentyl] prop-2-enoate is sourced from PubChem (CID 146390583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).