6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one

C88H136O16 — CID 173079143

IUPAC6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one
SMILESCC1(CCCCCCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1.CC1(CCCCCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1.CC1(CCCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1.CC1(CCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1
InChIInChI=1S/C24H38O4.C23H36O4.C21H32O4.C20H30O4/c1-24(19-22(27)21-18-20(26)14-15-23(21)28-24)16-12-10-8-6-4-2-3-5-7-9-11-13-17-25;1-23(18-21(26)20-17-19(25)13-14-22(20)27-23)15-11-9-7-5-3-2-4-6-8-10-12-16-24;1-21(13-9-7-5-3-2-4-6-8-10-14-22)16-19(24)18-15-17(23)11-12-20(18)25-21;1-20(12-8-6-4-2-3-5-7-9-13-21)15-18(23)17-14-16(22)10-11-19(17)24-20/h14-15,18,25-26H,2-13,16-17,19H2,1H3;13-14,17,24-25H,2-12,15-16,18H2,1H3;11-12,15,22-23H,2-10,13-14,16H2,1H3;10-11,14,21-22H,2-9,12-13,15H2,1H3
InChIKeyUCMJCSRDPJDZSM-UHFFFAOYSA-N
MW1450.04 g/mol
LogP21.60
Rot. Bonds48

About 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one

6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one (PubChem CID 173079143) has the molecular formula C88H136O16 and a molecular weight of 1450.04 g/mol. Its IUPAC name is 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one.

Molecular Properties

Compound Name6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one
PubChem CID173079143
Molecular FormulaC88H136O16
Molecular Weight1450.04 g/mol
Exact Mass1448.98
IUPAC Name6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one
SMILESCC1(CCCCCCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1.CC1(CCCCCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1.CC1(CCCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1.CC1(CCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1
InChIInChI=1S/C24H38O4.C23H36O4.C21H32O4.C20H30O4/c1-24(19-22(27)21-18-20(26)14-15-23(21)28-24)16-12-10-8-6-4-2-3-5-7-9-11-13-17-25;1-23(18-21(26)20-17-19(25)13-14-22(20)27-23)15-11-9-7-5-3-2-4-6-8-10-12-16-24;1-21(13-9-7-5-3-2-4-6-8-10-14-22)16-19(24)18-15-17(23)11-12-20(18)25-21;1-20(12-8-6-4-2-3-5-7-9-13-21)15-18(23)17-14-16(22)10-11-19(17)24-20/h14-15,18,25-26H,2-13,16-17,19H2,1H3;13-14,17,24-25H,2-12,15-16,18H2,1H3;11-12,15,22-23H,2-10,13-14,16H2,1H3;10-11,14,21-22H,2-9,12-13,15H2,1H3
InChIKeyUCMJCSRDPJDZSM-UHFFFAOYSA-N
XLogP21.60
TPSA267.04 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds48
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001450.04
LogP ≤ 521.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one?
The IUPAC name of 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one (CID 173079143) is 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one.
What is the SMILES notation for 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one?
The canonical SMILES for 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one is CC1(CCCCCCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1.CC1(CCCCCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1.CC1(CCCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1.CC1(CCCCCCCCCCO)CC(=O)c2cc(O)ccc2O1.
What is the InChIKey of 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one?
The InChIKey is UCMJCSRDPJDZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4.C23H36O4.C21H32O4.C20H30O4/c1-24(19-22(27)21-18-20(26)14-15-23(21)28-24)16-12-10-8-6-4-2-3-5-7-9-11-13-17-25;1-23(18-21(26)20-17-19(25)13-14-22(20)27-23)15-11-9-7-5-3-2-4-6-8-10-12-16-24;1-21(13-9-7-5-3-2-4-6-8-10-14-22)16-19(24)18-15-17(23)11-12-20(18)25-21;1-20(12-8-6-4-2-3-5-7-9-13-21)15-18(23)17-14-16(22)10-11-19(17)24-20/h14-15,18,25-26H,2-13,16-17,19H2,1H3;13-14,17,24-25H,2-12,15-16,18H2,1H3;11-12,15,22-23H,2-10,13-14,16H2,1H3;10-11,14,21-22H,2-9,12-13,15H2,1H3.
What are the key properties of 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one?
6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one has a molecular weight of 1450.04 g/mol, XLogP of 21.60, 48 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one is sourced from PubChem (CID 173079143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).