2-butoxy-4-hydroxybenzoic acid

C11H14O4 — CID 70316659

IUPAC2-butoxy-4-hydroxybenzoic acid
SMILESCCCCOc1cc(O)ccc1C(=O)O
InChIInChI=1S/C11H14O4/c1-2-3-6-15-10-7-8(12)4-5-9(10)11(13)14/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChIKeySMXOXPSMQZTPRB-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.27
Rot. Bonds5

About 2-butoxy-4-hydroxybenzoic acid

2-butoxy-4-hydroxybenzoic acid (PubChem CID 70316659) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-butoxy-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-butoxy-4-hydroxybenzoic acid
PubChem CID70316659
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-butoxy-4-hydroxybenzoic acid
SMILESCCCCOc1cc(O)ccc1C(=O)O
InChIInChI=1S/C11H14O4/c1-2-3-6-15-10-7-8(12)4-5-9(10)11(13)14/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChIKeySMXOXPSMQZTPRB-UHFFFAOYSA-N
XLogP2.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.27
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

2-hexadecoxy-4-hydroxybenzoic acid
CID 102239307
2-pentoxyterephthalic acid
CID 86182031
2-octadecoxyterephthalic acid
CID 142668937
2-butoxy-4-ethylbenzoic acid
CID 174580616
4-decoxy-2-hexoxybenzoic acid
CID 141156533
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
4-amino-2-nonoxybenzoic acid
CID 106954713
2-butoxybenzoic acid;carbonic acid
CID 137455653
3-butoxy-4-methylphenol
CID 54016675
2,5-dipentoxyterephthalic acid;dihydrochloride
CID 70289838
3-butoxy-4-fluorophenol
CID 174949463
4-hydroxy-2-prop-2-ynoxybenzoic acid
CID 156621026

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-hydroxybenzoic acid?
The IUPAC name of 2-butoxy-4-hydroxybenzoic acid (CID 70316659) is 2-butoxy-4-hydroxybenzoic acid.
What is the SMILES notation for 2-butoxy-4-hydroxybenzoic acid?
The canonical SMILES for 2-butoxy-4-hydroxybenzoic acid is CCCCOc1cc(O)ccc1C(=O)O.
What is the InChIKey of 2-butoxy-4-hydroxybenzoic acid?
The InChIKey is SMXOXPSMQZTPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-3-6-15-10-7-8(12)4-5-9(10)11(13)14/h4-5,7,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 2-butoxy-4-hydroxybenzoic acid?
2-butoxy-4-hydroxybenzoic acid has a molecular weight of 210.23 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-hydroxybenzoic acid is sourced from PubChem (CID 70316659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).