[1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate

C80H105FO19 — CID 161355793

IUPAC[1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccc(F)cc2)CCCCC1.C=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccc(O)cc2)CCCCC1.C=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccccc2)CCOC1.C=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccco2)CCCCC1
InChIInChI=1S/C21H27FO4.C21H28O5.C19H26O5.C19H24O5/c2*1-4-18(25-20(24)15(2)3)14-19(23)26-21(12-6-5-7-13-21)16-8-10-17(22)11-9-16;1-4-15(23-18(21)14(2)3)13-17(20)24-19(10-6-5-7-11-19)16-9-8-12-22-16;1-4-16(23-18(21)14(2)3)12-17(20)24-19(10-11-22-13-19)15-8-6-5-7-9-15/h8-11,18H,2,4-7,12-14H2,1,3H3;8-11,18,22H,2,4-7,12-14H2,1,3H3;8-9,12,15H,2,4-7,10-11,13H2,1,3H3;5-9,16H,2,4,10-13H2,1,3H3
InChIKeyVONGUFXANOASTL-UHFFFAOYSA-N
MW1389.70 g/mol
LogP16.60
Rot. Bonds28

About [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate

[1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate (PubChem CID 161355793) has the molecular formula C80H105FO19 and a molecular weight of 1389.70 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate
PubChem CID161355793
Molecular FormulaC80H105FO19
Molecular Weight1389.70 g/mol
Exact Mass1388.72
IUPAC Name[1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccc(F)cc2)CCCCC1.C=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccc(O)cc2)CCCCC1.C=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccccc2)CCOC1.C=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccco2)CCCCC1
InChIInChI=1S/C21H27FO4.C21H28O5.C19H26O5.C19H24O5/c2*1-4-18(25-20(24)15(2)3)14-19(23)26-21(12-6-5-7-13-21)16-8-10-17(22)11-9-16;1-4-15(23-18(21)14(2)3)13-17(20)24-19(10-6-5-7-11-19)16-9-8-12-22-16;1-4-16(23-18(21)14(2)3)12-17(20)24-19(10-11-22-13-19)15-8-6-5-7-9-15/h8-11,18H,2,4-7,12-14H2,1,3H3;8-11,18,22H,2,4-7,12-14H2,1,3H3;8-9,12,15H,2,4-7,10-11,13H2,1,3H3;5-9,16H,2,4,10-13H2,1,3H3
InChIKeyVONGUFXANOASTL-UHFFFAOYSA-N
XLogP16.60
TPSA253.00 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001389.70
LogP ≤ 516.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate with MolForge

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Related Compounds

1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate
CID 158421414
[2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate
CID 158194180
[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate
CID 138534197
[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
CID 168800149
[2-(1-ethenyl-2-methylcyclopentyl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-[4-(4-methylphenyl)oxan-4-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate;[1-oxo-1-(1-phenylcyclohexyl)oxypropan-2-yl] 2-methylprop-2-enoate;[2-oxo-2-(3-thiophen-2-yloxolan-3-yl)oxyethyl] 2-methylprop-2-enoate
CID 159082773
[2-[1-(4-methylphenyl)cyclohexyl]oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-[4-(4-methylphenyl)oxan-4-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[1-[(E)-prop-1-enyl]cyclohexyl]oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(3-thiophen-2-yloxolan-3-yl)oxyethyl] 2-methylprop-2-enoate
CID 158372100
[1-[4-(4-methylphenyl)oxan-4-yl]oxy-1-oxopentan-3-yl] 2,2-dimethylbutanoate
CID 159711056
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate
CID 158421415
(1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate
CID 157418017
[1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate
CID 130238686
(7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
CID 89475205
[4-[1-(2-bromopropanoyloxy)cyclopentyl]phenyl]-diphenylsulfanium
CID 156683837

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate?
The IUPAC name of [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate (CID 161355793) is [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate.
What is the SMILES notation for [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate?
The canonical SMILES for [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate is C=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccc(F)cc2)CCCCC1.C=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccc(O)cc2)CCCCC1.C=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccccc2)CCOC1.C=C(C)C(=O)OC(CC)CC(=O)OC1(c2ccco2)CCCCC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate?
The InChIKey is VONGUFXANOASTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FO4.C21H28O5.C19H26O5.C19H24O5/c2*1-4-18(25-20(24)15(2)3)14-19(23)26-21(12-6-5-7-13-21)16-8-10-17(22)11-9-16;1-4-15(23-18(21)14(2)3)13-17(20)24-19(10-6-5-7-11-19)16-9-8-12-22-16;1-4-16(23-18(21)14(2)3)12-17(20)24-19(10-11-22-13-19)15-8-6-5-7-9-15/h8-11,18H,2,4-7,12-14H2,1,3H3;8-11,18,22H,2,4-7,12-14H2,1,3H3;8-9,12,15H,2,4-7,10-11,13H2,1,3H3;5-9,16H,2,4,10-13H2,1,3H3.
What are the key properties of [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate?
[1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate has a molecular weight of 1389.70 g/mol, XLogP of 16.60, 28 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate is sourced from PubChem (CID 161355793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).