1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one

C130H204O21 — CID 160770404

IUPAC1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one
SMILESCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCCCCCC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C22H36O3.C20H32O3.C19H30O3.2C18H28O3.C17H26O3.C16H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(23)16-14-19-15-17-21(24)22(25)18-19;1-2-3-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22)20(23)16-17;1-2-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(22)15-16;2*1-2-3-4-5-6-7-8-9-16(19)12-10-15-11-13-17(20)18(21)14-15;1-2-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(20)13-14;1-2-3-4-5-6-7-14(17)10-8-13-9-11-15(18)16(19)12-13/h15,17-18,24-25H,2-14,16H2,1H3;13,15-16,22-23H,2-12,14H2,1H3;12,14-15,21-22H,2-11,13H2,1H3;2*11,13-14,20-21H,2-10,12H2,1H3;10,12-13,19-20H,2-9,11H2,1H3;9,11-12,18-19H,2-8,10H2,1H3
InChIKeyRZFWASRLGUIGNW-UHFFFAOYSA-N
MW2103.04 g/mol
LogP34.74
Rot. Bonds81

About 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one

1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one (PubChem CID 160770404) has the molecular formula C130H204O21 and a molecular weight of 2103.04 g/mol. Its IUPAC name is 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one.

Molecular Properties

Compound Name1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one
PubChem CID160770404
Molecular FormulaC130H204O21
Molecular Weight2103.04 g/mol
Exact Mass2101.49
IUPAC Name1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one
SMILESCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCCCCCC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C22H36O3.C20H32O3.C19H30O3.2C18H28O3.C17H26O3.C16H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(23)16-14-19-15-17-21(24)22(25)18-19;1-2-3-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22)20(23)16-17;1-2-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(22)15-16;2*1-2-3-4-5-6-7-8-9-16(19)12-10-15-11-13-17(20)18(21)14-15;1-2-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(20)13-14;1-2-3-4-5-6-7-14(17)10-8-13-9-11-15(18)16(19)12-13/h15,17-18,24-25H,2-14,16H2,1H3;13,15-16,22-23H,2-12,14H2,1H3;12,14-15,21-22H,2-11,13H2,1H3;2*11,13-14,20-21H,2-10,12H2,1H3;10,12-13,19-20H,2-9,11H2,1H3;9,11-12,18-19H,2-8,10H2,1H3
InChIKeyRZFWASRLGUIGNW-UHFFFAOYSA-N
XLogP34.74
TPSA402.71 Ų
H-Bond Donors14
H-Bond Acceptors21
Rotatable Bonds81
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002103.04
LogP ≤ 534.74
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one with MolForge

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Related Compounds

1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one
CID 162134258
1-(3,4-dihydroxyphenyl)docos-13-en-5-one
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1-(3,4-dihydroxyphenyl)-5-hydroxytetradecan-3-one
CID 14551432
1-(3,4-dihydroxyphenyl)pentan-3-one
CID 145234678
1-(4-methylphenyl)dodecan-3-one
CID 105086419
1-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)pentan-3-one
CID 56847287
1-(4-aminophenyl)nonan-3-one
CID 116605500
1-(3,4-dihydroxyphenyl)-5-methoxydecan-3-one
CID 24871717
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
4-(3,4-dihydroxyphenyl)butan-2-yl tetracosanoate
CID 101213174
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
1-(4-methoxyphenyl)nonan-3-one
CID 114966639

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one?
The IUPAC name of 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one (CID 160770404) is 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one.
What is the SMILES notation for 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one?
The canonical SMILES for 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one is CCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.CCCCCCCCCCCCCC(=O)CCc1ccc(O)c(O)c1.
What is the InChIKey of 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one?
The InChIKey is RZFWASRLGUIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3.C20H32O3.C19H30O3.2C18H28O3.C17H26O3.C16H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(23)16-14-19-15-17-21(24)22(25)18-19;1-2-3-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22)20(23)16-17;1-2-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(22)15-16;2*1-2-3-4-5-6-7-8-9-16(19)12-10-15-11-13-17(20)18(21)14-15;1-2-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(20)13-14;1-2-3-4-5-6-7-14(17)10-8-13-9-11-15(18)16(19)12-13/h15,17-18,24-25H,2-14,16H2,1H3;13,15-16,22-23H,2-12,14H2,1H3;12,14-15,21-22H,2-11,13H2,1H3;2*11,13-14,20-21H,2-10,12H2,1H3;10,12-13,19-20H,2-9,11H2,1H3;9,11-12,18-19H,2-8,10H2,1H3.
What are the key properties of 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one?
1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one has a molecular weight of 2103.04 g/mol, XLogP of 34.74, 81 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one is sourced from PubChem (CID 160770404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).