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

C108H168O18 — CID 162134258

IUPAC1-(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
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
InChIInChI=1S/C20H32O3.C19H30O3.2C18H28O3.C17H26O3.C16H24O3/c1-2-3-4-5-6-7-8-9-10-11-18(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/h13,15-16,22-23H,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
InChIKeyZJBGKGYQBUUQCX-UHFFFAOYSA-N
MW1754.51 g/mol
LogP28.44
Rot. Bonds66

About 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

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 (PubChem CID 162134258) has the molecular formula C108H168O18 and a molecular weight of 1754.51 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)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)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one
PubChem CID162134258
Molecular FormulaC108H168O18
Molecular Weight1754.51 g/mol
Exact Mass1753.22
IUPAC Name1-(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
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
InChIInChI=1S/C20H32O3.C19H30O3.2C18H28O3.C17H26O3.C16H24O3/c1-2-3-4-5-6-7-8-9-10-11-18(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/h13,15-16,22-23H,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
InChIKeyZJBGKGYQBUUQCX-UHFFFAOYSA-N
XLogP28.44
TPSA345.18 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds66
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001754.51
LogP ≤ 528.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

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)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)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
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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
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1-(3,4-dihydroxyphenyl)-5-methoxydecan-3-one
CID 24871717
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CID 70011892
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CID 101213174
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CID 91440727
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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)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)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one (CID 162134258) is 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.
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)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)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.
What is the InChIKey of 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?
The InChIKey is ZJBGKGYQBUUQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3.C19H30O3.2C18H28O3.C17H26O3.C16H24O3/c1-2-3-4-5-6-7-8-9-10-11-18(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/h13,15-16,22-23H,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)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)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one has a molecular weight of 1754.51 g/mol, XLogP of 28.44, 66 rotatable bonds, 12 hydrogen bond donors, and 18 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)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one is sourced from PubChem (CID 162134258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).