12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate

C144H216O22 — CID 91250126

IUPAC12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate
SMILESCCC/C=C/CCCCCCc1cc(O)cc(C)c1C(=O)OC(CCC)CCCCCCCc1cc(O)cc(O)c1.CCC/C=C/CCCCCCc1cc(O)cc(O)c1C(=O)OC(CCC)CCCCCCCc1cc(C)cc(O)c1.CCC/C=C/CCCCCCc1cc(O)cc(O)c1C(=O)OC(CCCC)CCCCCCCc1cc(O)cc(O)c1.CCCC(CCCCCCCc1cc(O)cc(O)c1)OC(=O)c1c(O)cc(O)cc1CCCCCC/C=C/C(C)CC
InChIInChI=1S/2C36H54O6.2C36H54O5/c1-4-17-33(21-16-12-8-10-14-19-28-22-30(37)25-31(38)23-28)42-36(41)35-29(24-32(39)26-34(35)40)20-15-11-7-6-9-13-18-27(3)5-2;1-3-5-7-8-9-10-11-14-17-20-29-25-32(39)27-34(40)35(29)36(41)42-33(21-6-4-2)22-18-15-12-13-16-19-28-23-30(37)26-31(38)24-28;1-4-6-7-8-9-10-11-14-17-21-30-26-31(37)23-28(3)35(30)36(40)41-34(19-5-2)22-18-15-12-13-16-20-29-24-32(38)27-33(39)25-29;1-4-6-7-8-9-10-11-14-17-21-30-26-32(38)27-34(39)35(30)36(40)41-33(19-5-2)22-18-15-12-13-16-20-29-23-28(3)24-31(37)25-29/h13,18,22-27,33,37-40H,4-12,14-17,19-21H2,1-3H3;7-8,23-27,33,37-40H,3-6,9-22H2,1-2H3;7-8,23-27,34,37-39H,4-6,9-22H2,1-3H3;7-8,23-27,33,37-39H,4-6,9-22H2,1-3H3/b18-13+;3*8-7+
InChIKeyWVPQGJGADJIMIS-AGSOXHLLSA-N
MW2299.29 g/mol
LogP38.91
Rot. Bonds85

About 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate

12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate (PubChem CID 91250126) has the molecular formula C144H216O22 and a molecular weight of 2299.29 g/mol. Its IUPAC name is 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate.

Molecular Properties

Compound Name12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate
PubChem CID91250126
Molecular FormulaC144H216O22
Molecular Weight2299.29 g/mol
Exact Mass2297.58
IUPAC Name12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate
SMILESCCC/C=C/CCCCCCc1cc(O)cc(C)c1C(=O)OC(CCC)CCCCCCCc1cc(O)cc(O)c1.CCC/C=C/CCCCCCc1cc(O)cc(O)c1C(=O)OC(CCC)CCCCCCCc1cc(C)cc(O)c1.CCC/C=C/CCCCCCc1cc(O)cc(O)c1C(=O)OC(CCCC)CCCCCCCc1cc(O)cc(O)c1.CCCC(CCCCCCCc1cc(O)cc(O)c1)OC(=O)c1c(O)cc(O)cc1CCCCCC/C=C/C(C)CC
InChIInChI=1S/2C36H54O6.2C36H54O5/c1-4-17-33(21-16-12-8-10-14-19-28-22-30(37)25-31(38)23-28)42-36(41)35-29(24-32(39)26-34(35)40)20-15-11-7-6-9-13-18-27(3)5-2;1-3-5-7-8-9-10-11-14-17-20-29-25-32(39)27-34(40)35(29)36(41)42-33(21-6-4-2)22-18-15-12-13-16-19-28-23-30(37)26-31(38)24-28;1-4-6-7-8-9-10-11-14-17-21-30-26-31(37)23-28(3)35(30)36(40)41-34(19-5-2)22-18-15-12-13-16-20-29-24-32(38)27-33(39)25-29;1-4-6-7-8-9-10-11-14-17-21-30-26-32(38)27-34(39)35(30)36(40)41-33(19-5-2)22-18-15-12-13-16-20-29-23-28(3)24-31(37)25-29/h13,18,22-27,33,37-40H,4-12,14-17,19-21H2,1-3H3;7-8,23-27,33,37-40H,3-6,9-22H2,1-2H3;7-8,23-27,34,37-39H,4-6,9-22H2,1-3H3;7-8,23-27,33,37-39H,4-6,9-22H2,1-3H3/b18-13+;3*8-7+
InChIKeyWVPQGJGADJIMIS-AGSOXHLLSA-N
XLogP38.91
TPSA388.42 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds85
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002299.29
LogP ≤ 538.91
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;5-(8-hydroxyundecyl)benzene-1,3-diol
CID 161415621
11-(3,5-disulfooxyphenyl)undecan-4-yl 2-decyl-4,6-dihydroxybenzoate
CID 139584271
[(4S)-11-(3,5-disulfooxyphenyl)undecan-4-yl] 2-decyl-4,6-dihydroxybenzoate
CID 169491519
2,4-dihydroxy-6-[(E)-pentadec-8-enyl]benzoic acid
CID 22665100
5-tridec-8-enylbenzene-1,3-diol
CID 53436336
5-[(E)-pentadec-8-enyl]benzene-1,3-diol
CID 6916254
5-[(E)-pentadec-10-enyl]benzene-1,3-diol
CID 101304434
11-(3,5-dihydroxyphenyl)undecan-4-yl formate
CID 143149320
methyl 2-heptyl-4,6-dihydroxybenzoate
CID 14581930
5-[(E)-heptadec-4-enyl]benzene-1,3-diol
CID 11348570
4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-heptyl-6-hydroxybenzoic acid
CID 162956402
5-undec-3-enylbenzene-1,3-diol
CID 71437101

Frequently Asked Questions

What is the IUPAC name of 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate?
The IUPAC name of 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate (CID 91250126) is 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate.
What is the SMILES notation for 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate?
The canonical SMILES for 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate is CCC/C=C/CCCCCCc1cc(O)cc(C)c1C(=O)OC(CCC)CCCCCCCc1cc(O)cc(O)c1.CCC/C=C/CCCCCCc1cc(O)cc(O)c1C(=O)OC(CCC)CCCCCCCc1cc(C)cc(O)c1.CCC/C=C/CCCCCCc1cc(O)cc(O)c1C(=O)OC(CCCC)CCCCCCCc1cc(O)cc(O)c1.CCCC(CCCCCCCc1cc(O)cc(O)c1)OC(=O)c1c(O)cc(O)cc1CCCCCC/C=C/C(C)CC.
What is the InChIKey of 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate?
The InChIKey is WVPQGJGADJIMIS-AGSOXHLLSA-N. The full InChI is InChI=1S/2C36H54O6.2C36H54O5/c1-4-17-33(21-16-12-8-10-14-19-28-22-30(37)25-31(38)23-28)42-36(41)35-29(24-32(39)26-34(35)40)20-15-11-7-6-9-13-18-27(3)5-2;1-3-5-7-8-9-10-11-14-17-20-29-25-32(39)27-34(40)35(29)36(41)42-33(21-6-4-2)22-18-15-12-13-16-19-28-23-30(37)26-31(38)24-28;1-4-6-7-8-9-10-11-14-17-21-30-26-31(37)23-28(3)35(30)36(40)41-34(19-5-2)22-18-15-12-13-16-20-29-24-32(38)27-33(39)25-29;1-4-6-7-8-9-10-11-14-17-21-30-26-32(38)27-34(39)35(30)36(40)41-33(19-5-2)22-18-15-12-13-16-20-29-23-28(3)24-31(37)25-29/h13,18,22-27,33,37-40H,4-12,14-17,19-21H2,1-3H3;7-8,23-27,33,37-40H,3-6,9-22H2,1-2H3;7-8,23-27,34,37-39H,4-6,9-22H2,1-3H3;7-8,23-27,33,37-39H,4-6,9-22H2,1-3H3/b18-13+;3*8-7+.
What are the key properties of 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate?
12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate has a molecular weight of 2299.29 g/mol, XLogP of 38.91, 85 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3,5-dihydroxyphenyl)dodecan-5-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 4-hydroxy-2-methyl-6-[(E)-undec-7-enyl]benzoate;11-(3-hydroxy-5-methylphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-undec-7-enyl]benzoate is sourced from PubChem (CID 91250126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).