10-hydroxydecyl 3,4-dihydroxybenzoate

C17H26O5 — CID 176884510

IUPAC10-hydroxydecyl 3,4-dihydroxybenzoate
SMILESO=C(OCCCCCCCCCCO)c1ccc(O)c(O)c1
InChIInChI=1S/C17H26O5/c18-11-7-5-3-1-2-4-6-8-12-22-17(21)14-9-10-15(19)16(20)13-14/h9-10,13,18-20H,1-8,11-12H2
InChIKeyHZPRPSLFIZNYBN-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.37
Rot. Bonds11

About 10-hydroxydecyl 3,4-dihydroxybenzoate

10-hydroxydecyl 3,4-dihydroxybenzoate (PubChem CID 176884510) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is 10-hydroxydecyl 3,4-dihydroxybenzoate.

Molecular Properties

Compound Name10-hydroxydecyl 3,4-dihydroxybenzoate
PubChem CID176884510
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name10-hydroxydecyl 3,4-dihydroxybenzoate
SMILESO=C(OCCCCCCCCCCO)c1ccc(O)c(O)c1
InChIInChI=1S/C17H26O5/c18-11-7-5-3-1-2-4-6-8-12-22-17(21)14-9-10-15(19)16(20)13-14/h9-10,13,18-20H,1-8,11-12H2
InChIKeyHZPRPSLFIZNYBN-UHFFFAOYSA-N
XLogP3.37
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

decyl 3,4-dihydroxybenzoate
CID 10063047
bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
CID 11001391
12-hydroxydodecyl 4-[4-(12-hydroxydodecoxycarbonyl)phenyl]benzoate
CID 139669439
4-(5-hydroxypentoxycarbonyl)benzoic acid
CID 70119463
5-(3-bromo-4-hydroxybenzoyl)oxypentyl 3-bromo-4-hydroxybenzoate
CID 139915009
dodecan-1-ol;dodecyl 3,4,5-trihydroxybenzoate
CID 142060998
5-hydroxypentyl 3-amino-4-chlorobenzoate
CID 55053199
6-hydroxyhexyl 4-amino-3-chlorobenzoate
CID 103925165
5-hydroxypentyl 4-amino-3-fluorobenzoate
CID 55103413
6-(3,4,5-trihydroxybenzoyl)oxyhexyl 3,4,5-trihydroxybenzoate
CID 22895394
4-[4-(6-hydroxyhexoxycarbonyl)phenyl]benzoic acid
CID 57269652
3-(6-hydroxyhexoxycarbonyl)benzoate
CID 19593974

Frequently Asked Questions

What is the IUPAC name of 10-hydroxydecyl 3,4-dihydroxybenzoate?
The IUPAC name of 10-hydroxydecyl 3,4-dihydroxybenzoate (CID 176884510) is 10-hydroxydecyl 3,4-dihydroxybenzoate.
What is the SMILES notation for 10-hydroxydecyl 3,4-dihydroxybenzoate?
The canonical SMILES for 10-hydroxydecyl 3,4-dihydroxybenzoate is O=C(OCCCCCCCCCCO)c1ccc(O)c(O)c1.
What is the InChIKey of 10-hydroxydecyl 3,4-dihydroxybenzoate?
The InChIKey is HZPRPSLFIZNYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c18-11-7-5-3-1-2-4-6-8-12-22-17(21)14-9-10-15(19)16(20)13-14/h9-10,13,18-20H,1-8,11-12H2.
What are the key properties of 10-hydroxydecyl 3,4-dihydroxybenzoate?
10-hydroxydecyl 3,4-dihydroxybenzoate has a molecular weight of 310.39 g/mol, XLogP of 3.37, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydecyl 3,4-dihydroxybenzoate is sourced from PubChem (CID 176884510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).