2-dodecoxy-6-hydroxybenzoic acid

C19H30O4 — CID 10448823

IUPAC2-dodecoxy-6-hydroxybenzoic acid
SMILESCCCCCCCCCCCCOc1cccc(O)c1C(=O)O
InChIInChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-15-23-17-14-12-13-16(20)18(17)19(21)22/h12-14,20H,2-11,15H2,1H3,(H,21,22)
InChIKeyHMYWVVRALHTQJQ-UHFFFAOYSA-N
MW322.44 g/mol
LogP5.39
Rot. Bonds13

About 2-dodecoxy-6-hydroxybenzoic acid

2-dodecoxy-6-hydroxybenzoic acid (PubChem CID 10448823) has the molecular formula C19H30O4 and a molecular weight of 322.44 g/mol. Its IUPAC name is 2-dodecoxy-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2-dodecoxy-6-hydroxybenzoic acid
PubChem CID10448823
Molecular FormulaC19H30O4
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name2-dodecoxy-6-hydroxybenzoic acid
SMILESCCCCCCCCCCCCOc1cccc(O)c1C(=O)O
InChIInChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-15-23-17-14-12-13-16(20)18(17)19(21)22/h12-14,20H,2-11,15H2,1H3,(H,21,22)
InChIKeyHMYWVVRALHTQJQ-UHFFFAOYSA-N
XLogP5.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dodecoxy-6-hydroxybenzoic acid?
The IUPAC name of 2-dodecoxy-6-hydroxybenzoic acid (CID 10448823) is 2-dodecoxy-6-hydroxybenzoic acid.
What is the SMILES notation for 2-dodecoxy-6-hydroxybenzoic acid?
The canonical SMILES for 2-dodecoxy-6-hydroxybenzoic acid is CCCCCCCCCCCCOc1cccc(O)c1C(=O)O.
What is the InChIKey of 2-dodecoxy-6-hydroxybenzoic acid?
The InChIKey is HMYWVVRALHTQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-15-23-17-14-12-13-16(20)18(17)19(21)22/h12-14,20H,2-11,15H2,1H3,(H,21,22).
What are the key properties of 2-dodecoxy-6-hydroxybenzoic acid?
2-dodecoxy-6-hydroxybenzoic acid has a molecular weight of 322.44 g/mol, XLogP of 5.39, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxy-6-hydroxybenzoic acid is sourced from PubChem (CID 10448823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).