2-hydroxy-6-tetradecoxybenzoic acid

C21H34O4 — CID 10360553

IUPAC2-hydroxy-6-tetradecoxybenzoic acid
SMILESCCCCCCCCCCCCCCOc1cccc(O)c1C(=O)O
InChIInChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24)
InChIKeyCOUQHIRIFUVLDU-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.17
Rot. Bonds15

About 2-hydroxy-6-tetradecoxybenzoic acid

2-hydroxy-6-tetradecoxybenzoic acid (PubChem CID 10360553) has the molecular formula C21H34O4 and a molecular weight of 350.50 g/mol. Its IUPAC name is 2-hydroxy-6-tetradecoxybenzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-tetradecoxybenzoic acid
PubChem CID10360553
Molecular FormulaC21H34O4
Molecular Weight350.50 g/mol
Exact Mass350.25
IUPAC Name2-hydroxy-6-tetradecoxybenzoic acid
SMILESCCCCCCCCCCCCCCOc1cccc(O)c1C(=O)O
InChIInChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24)
InChIKeyCOUQHIRIFUVLDU-UHFFFAOYSA-N
XLogP6.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.17
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-hydroxy-6-tetradecoxybenzoic acid?
The IUPAC name of 2-hydroxy-6-tetradecoxybenzoic acid (CID 10360553) is 2-hydroxy-6-tetradecoxybenzoic acid.
What is the SMILES notation for 2-hydroxy-6-tetradecoxybenzoic acid?
The canonical SMILES for 2-hydroxy-6-tetradecoxybenzoic acid is CCCCCCCCCCCCCCOc1cccc(O)c1C(=O)O.
What is the InChIKey of 2-hydroxy-6-tetradecoxybenzoic acid?
The InChIKey is COUQHIRIFUVLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24).
What are the key properties of 2-hydroxy-6-tetradecoxybenzoic acid?
2-hydroxy-6-tetradecoxybenzoic acid has a molecular weight of 350.50 g/mol, XLogP of 6.17, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-tetradecoxybenzoic acid is sourced from PubChem (CID 10360553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).