[3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate

C148H182O32 — CID 158671931

About [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate

[3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate (PubChem CID 158671931) has the molecular formula C148H182O32 and a molecular weight of 2473.05 g/mol. Its IUPAC name is [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate.

Molecular Properties

• Compound Name: [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate
• PubChem CID: 158671931
• Molecular Formula: C148H182O32
• Molecular Weight: 2473.05 g/mol
• Exact Mass: 2471.26
• IUPAC Name: [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate
• SMILES: Cc1c(OCCCCOc2ccc(OC=O)cc2)ccc(C(=O)CC(C)C)c1C.Cc1c(OCCCCOc2ccc(OC=O)cc2)ccc(C(=O)CC(C)C)c1O.Cc1c(OCCCCOc2ccc(OC=O)cc2)ccc(C(=O)CC2CCCC2)c1C.Cc1c(OCCCCOc2ccc(OC=O)cc2)ccc(C(=O)CC2CCCC2)c1O.Cc1c(OCCCCOc2cccc(OC=O)c2)ccc(C(=O)CC(C)C)c1C.Cc1c(OCCCCOc2cccc(OC=O)c2)ccc(C(=O)CC2CCCC2)c1C
• InChI: InChI=1S/2C26H32O5.C25H30O6.2C24H30O5.C23H28O6/c1-19-20(2)26(13-12-24(19)25(28)16-21-8-3-4-9-21)30-15-6-5-14-29-22-10-7-11-23(17-22)31-18-27;1-19-20(2)26(14-13-24(19)25(28)17-21-7-3-4-8-21)30-16-6-5-15-29-22-9-11-23(12-10-22)31-18-27;1-18-24(13-12-22(25(18)28)23(27)16-19-6-2-3-7-19)30-15-5-4-14-29-20-8-10-21(11-9-20)31-17-26;1-17(2)15-23(26)22-11-12-24(19(4)18(22)3)28-14-6-5-13-27-20-7-9-21(10-8-20)29-16-25;1-17(2)14-23(26)22-10-11-24(19(4)18(22)3)28-13-6-5-12-27-20-8-7-9-21(15-20)29-16-25;1-16(2)14-21(25)20-10-11-22(17(3)23(20)26)28-13-5-4-12-27-18-6-8-19(9-7-18)29-15-24/h7,10-13,17-18,21H,3-6,8-9,14-16H2,1-2H3;9-14,18,21H,3-8,15-17H2,1-2H3;8-13,17,19,28H,2-7,14-16H2,1H3;7-12,16-17H,5-6,13-15H2,1-4H3;7-11,15-17H,5-6,12-14H2,1-4H3;6-11,15-16,26H,4-5,12-14H2,1-3H3
• InChIKey: IEBAKZLOLQZKPP-UHFFFAOYSA-N
• XLogP: 32.23
• TPSA: 411.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 72
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2473.05
LogP ≤ 5	32.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate?

The IUPAC name of [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate (CID 158671931) is [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate.

What is the SMILES notation for [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate?

The canonical SMILES for [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate is Cc1c(OCCCCOc2ccc(OC=O)cc2)ccc(C(=O)CC(C)C)c1C.Cc1c(OCCCCOc2ccc(OC=O)cc2)ccc(C(=O)CC(C)C)c1O.Cc1c(OCCCCOc2ccc(OC=O)cc2)ccc(C(=O)CC2CCCC2)c1C.Cc1c(OCCCCOc2ccc(OC=O)cc2)ccc(C(=O)CC2CCCC2)c1O.Cc1c(OCCCCOc2cccc(OC=O)c2)ccc(C(=O)CC(C)C)c1C.Cc1c(OCCCCOc2cccc(OC=O)c2)ccc(C(=O)CC2CCCC2)c1C.

What is the InChIKey of [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate?

The InChIKey is IEBAKZLOLQZKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H32O5.C25H30O6.2C24H30O5.C23H28O6/c1-19-20(2)26(13-12-24(19)25(28)16-21-8-3-4-9-21)30-15-6-5-14-29-22-10-7-11-23(17-22)31-18-27;1-19-20(2)26(14-13-24(19)25(28)17-21-7-3-4-8-21)30-16-6-5-15-29-22-9-11-23(12-10-22)31-18-27;1-18-24(13-12-22(25(18)28)23(27)16-19-6-2-3-7-19)30-15-5-4-14-29-20-8-10-21(11-9-20)31-17-26;1-17(2)15-23(26)22-11-12-24(19(4)18(22)3)28-14-6-5-13-27-20-7-9-21(10-8-20)29-16-25;1-17(2)14-23(26)22-10-11-24(19(4)18(22)3)28-13-6-5-12-27-20-8-7-9-21(15-20)29-16-25;1-16(2)14-21(25)20-10-11-22(17(3)23(20)26)28-13-5-4-12-27-18-6-8-19(9-7-18)29-15-24/h7,10-13,17-18,21H,3-6,8-9,14-16H2,1-2H3;9-14,18,21H,3-8,15-17H2,1-2H3;8-13,17,19,28H,2-7,14-16H2,1H3;7-12,16-17H,5-6,13-15H2,1-4H3;7-11,15-17H,5-6,12-14H2,1-4H3;6-11,15-16,26H,4-5,12-14H2,1-3H3.

What are the key properties of [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate?

[3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate has a molecular weight of 2473.05 g/mol, XLogP of 32.23, 72 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]phenyl] formate;[4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]phenyl] formate;[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate;[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate is sourced from PubChem (CID 158671931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).