1-butoxybutane;2-hydroxybenzoic acid

C15H24O4 — CID 160692059

IUPAC1-butoxybutane;2-hydroxybenzoic acid
SMILESCCCCOCCCC.O=C(O)c1ccccc1O
InChIInChI=1S/C8H18O.C7H6O3/c1-3-5-7-9-8-6-4-2;8-6-4-2-1-3-5(6)7(9)10/h3-8H2,1-2H3;1-4,8H,(H,9,10)
InChIKeyRPNMJTKIMVNBJE-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.69
Rot. Bonds7

About 1-butoxybutane;2-hydroxybenzoic acid

1-butoxybutane;2-hydroxybenzoic acid (PubChem CID 160692059) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-butoxybutane;2-hydroxybenzoic acid.

Molecular Properties

Compound Name1-butoxybutane;2-hydroxybenzoic acid
PubChem CID160692059
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-butoxybutane;2-hydroxybenzoic acid
SMILESCCCCOCCCC.O=C(O)c1ccccc1O
InChIInChI=1S/C8H18O.C7H6O3/c1-3-5-7-9-8-6-4-2;8-6-4-2-1-3-5(6)7(9)10/h3-8H2,1-2H3;1-4,8H,(H,9,10)
InChIKeyRPNMJTKIMVNBJE-UHFFFAOYSA-N
XLogP3.69
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.69
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;2-hydroxybenzoic acid?
The IUPAC name of 1-butoxybutane;2-hydroxybenzoic acid (CID 160692059) is 1-butoxybutane;2-hydroxybenzoic acid.
What is the SMILES notation for 1-butoxybutane;2-hydroxybenzoic acid?
The canonical SMILES for 1-butoxybutane;2-hydroxybenzoic acid is CCCCOCCCC.O=C(O)c1ccccc1O.
What is the InChIKey of 1-butoxybutane;2-hydroxybenzoic acid?
The InChIKey is RPNMJTKIMVNBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C7H6O3/c1-3-5-7-9-8-6-4-2;8-6-4-2-1-3-5(6)7(9)10/h3-8H2,1-2H3;1-4,8H,(H,9,10).
What are the key properties of 1-butoxybutane;2-hydroxybenzoic acid?
1-butoxybutane;2-hydroxybenzoic acid has a molecular weight of 268.35 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;2-hydroxybenzoic acid is sourced from PubChem (CID 160692059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).