2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid

C132H184O24 — CID 159654780

IUPAC2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid
SMILESCCCCc1ccc(C2C(O)CCC2CC(=O)O)cc1.CCCCc1ccc(C2C(O)CCC2CC(=O)OCC)cc1.CCOC(=O)CC1CCC(O)C1CCCc1ccccc1.CCOC(=O)CC1CCC(O)C1CCc1ccccc1.CCOC(=O)CC1CCC(O)C1c1cccc(C)c1.Cc1cccc(C2C(O)CCC2CC(=O)O)c1.O=C(O)CC1CCC(O)C1CCCc1ccccc1.O=C(O)CC1CCC(O)C1CCc1ccccc1
InChIInChI=1S/C19H28O3.C18H26O3.2C17H24O3.2C16H22O3.C15H20O3.C14H18O3/c1-3-5-6-14-7-9-15(10-8-14)19-16(11-12-17(19)20)13-18(21)22-4-2;1-2-21-18(20)13-15-11-12-17(19)16(15)10-6-9-14-7-4-3-5-8-14;1-2-20-17(19)12-14-9-11-16(18)15(14)10-8-13-6-4-3-5-7-13;1-2-3-4-12-5-7-13(8-6-12)17-14(11-16(19)20)9-10-15(17)18;1-3-19-15(18)10-13-7-8-14(17)16(13)12-6-4-5-11(2)9-12;17-15-10-9-13(11-16(18)19)14(15)8-4-7-12-5-2-1-3-6-12;16-14-9-7-12(10-15(17)18)13(14)8-6-11-4-2-1-3-5-11;1-9-3-2-4-10(7-9)14-11(8-13(16)17)5-6-12(14)15/h7-10,16-17,19-20H,3-6,11-13H2,1-2H3;3-5,7-8,15-17,19H,2,6,9-13H2,1H3;3-7,14-16,18H,2,8-12H2,1H3;5-8,14-15,17-18H,2-4,9-11H2,1H3,(H,19,20);4-6,9,13-14,16-17H,3,7-8,10H2,1-2H3;1-3,5-6,13-15,17H,4,7-11H2,(H,18,19);1-5,12-14,16H,6-10H2,(H,17,18);2-4,7,11-12,14-15H,5-6,8H2,1H3,(H,16,17)
InChIKeyMSAMSJOPDTUVKN-UHFFFAOYSA-N
MW2154.90 g/mol
LogP23.98
Rot. Bonds44

About 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid

2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid (PubChem CID 159654780) has the molecular formula C132H184O24 and a molecular weight of 2154.90 g/mol. Its IUPAC name is 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid
PubChem CID159654780
Molecular FormulaC132H184O24
Molecular Weight2154.90 g/mol
Exact Mass2153.32
IUPAC Name2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid
SMILESCCCCc1ccc(C2C(O)CCC2CC(=O)O)cc1.CCCCc1ccc(C2C(O)CCC2CC(=O)OCC)cc1.CCOC(=O)CC1CCC(O)C1CCCc1ccccc1.CCOC(=O)CC1CCC(O)C1CCc1ccccc1.CCOC(=O)CC1CCC(O)C1c1cccc(C)c1.Cc1cccc(C2C(O)CCC2CC(=O)O)c1.O=C(O)CC1CCC(O)C1CCCc1ccccc1.O=C(O)CC1CCC(O)C1CCc1ccccc1
InChIInChI=1S/C19H28O3.C18H26O3.2C17H24O3.2C16H22O3.C15H20O3.C14H18O3/c1-3-5-6-14-7-9-15(10-8-14)19-16(11-12-17(19)20)13-18(21)22-4-2;1-2-21-18(20)13-15-11-12-17(19)16(15)10-6-9-14-7-4-3-5-8-14;1-2-20-17(19)12-14-9-11-16(18)15(14)10-8-13-6-4-3-5-7-13;1-2-3-4-12-5-7-13(8-6-12)17-14(11-16(19)20)9-10-15(17)18;1-3-19-15(18)10-13-7-8-14(17)16(13)12-6-4-5-11(2)9-12;17-15-10-9-13(11-16(18)19)14(15)8-4-7-12-5-2-1-3-6-12;16-14-9-7-12(10-15(17)18)13(14)8-6-11-4-2-1-3-5-11;1-9-3-2-4-10(7-9)14-11(8-13(16)17)5-6-12(14)15/h7-10,16-17,19-20H,3-6,11-13H2,1-2H3;3-5,7-8,15-17,19H,2,6,9-13H2,1H3;3-7,14-16,18H,2,8-12H2,1H3;5-8,14-15,17-18H,2-4,9-11H2,1H3,(H,19,20);4-6,9,13-14,16-17H,3,7-8,10H2,1-2H3;1-3,5-6,13-15,17H,4,7-11H2,(H,18,19);1-5,12-14,16H,6-10H2,(H,17,18);2-4,7,11-12,14-15H,5-6,8H2,1H3,(H,16,17)
InChIKeyMSAMSJOPDTUVKN-UHFFFAOYSA-N
XLogP23.98
TPSA416.24 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds44
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002154.90
LogP ≤ 523.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid (CID 159654780) is 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid is CCCCc1ccc(C2C(O)CCC2CC(=O)O)cc1.CCCCc1ccc(C2C(O)CCC2CC(=O)OCC)cc1.CCOC(=O)CC1CCC(O)C1CCCc1ccccc1.CCOC(=O)CC1CCC(O)C1CCc1ccccc1.CCOC(=O)CC1CCC(O)C1c1cccc(C)c1.Cc1cccc(C2C(O)CCC2CC(=O)O)c1.O=C(O)CC1CCC(O)C1CCCc1ccccc1.O=C(O)CC1CCC(O)C1CCc1ccccc1.
What is the InChIKey of 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid?
The InChIKey is MSAMSJOPDTUVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3.C18H26O3.2C17H24O3.2C16H22O3.C15H20O3.C14H18O3/c1-3-5-6-14-7-9-15(10-8-14)19-16(11-12-17(19)20)13-18(21)22-4-2;1-2-21-18(20)13-15-11-12-17(19)16(15)10-6-9-14-7-4-3-5-8-14;1-2-20-17(19)12-14-9-11-16(18)15(14)10-8-13-6-4-3-5-7-13;1-2-3-4-12-5-7-13(8-6-12)17-14(11-16(19)20)9-10-15(17)18;1-3-19-15(18)10-13-7-8-14(17)16(13)12-6-4-5-11(2)9-12;17-15-10-9-13(11-16(18)19)14(15)8-4-7-12-5-2-1-3-6-12;16-14-9-7-12(10-15(17)18)13(14)8-6-11-4-2-1-3-5-11;1-9-3-2-4-10(7-9)14-11(8-13(16)17)5-6-12(14)15/h7-10,16-17,19-20H,3-6,11-13H2,1-2H3;3-5,7-8,15-17,19H,2,6,9-13H2,1H3;3-7,14-16,18H,2,8-12H2,1H3;5-8,14-15,17-18H,2-4,9-11H2,1H3,(H,19,20);4-6,9,13-14,16-17H,3,7-8,10H2,1-2H3;1-3,5-6,13-15,17H,4,7-11H2,(H,18,19);1-5,12-14,16H,6-10H2,(H,17,18);2-4,7,11-12,14-15H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid?
2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid has a molecular weight of 2154.90 g/mol, XLogP of 23.98, 44 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetic acid;ethyl 2-[2-(4-butylphenyl)-3-hydroxycyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetate;ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate;2-[3-hydroxy-2-(3-methylphenyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(2-phenylethyl)cyclopentyl]acetic acid;2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetic acid is sourced from PubChem (CID 159654780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).