butyl 2-hydroxybenzoate

C11H14O3 — CID 16330

IUPACbutyl 2-hydroxybenzoate
SMILESCCCCOC(=O)c1ccccc1O
InChIInChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3
InChIKeyYFDUWSBGVPBWKF-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.35
Rot. Bonds4

About butyl 2-hydroxybenzoate

butyl 2-hydroxybenzoate (PubChem CID 16330) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is butyl 2-hydroxybenzoate.

Molecular Properties

Compound Namebutyl 2-hydroxybenzoate
PubChem CID16330
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namebutyl 2-hydroxybenzoate
SMILESCCCCOC(=O)c1ccccc1O
InChIInChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3
InChIKeyYFDUWSBGVPBWKF-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
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 butyl 2-hydroxybenzoate?
The IUPAC name of butyl 2-hydroxybenzoate (CID 16330) is butyl 2-hydroxybenzoate.
What is the SMILES notation for butyl 2-hydroxybenzoate?
The canonical SMILES for butyl 2-hydroxybenzoate is CCCCOC(=O)c1ccccc1O.
What is the InChIKey of butyl 2-hydroxybenzoate?
The InChIKey is YFDUWSBGVPBWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3.
What are the key properties of butyl 2-hydroxybenzoate?
butyl 2-hydroxybenzoate has a molecular weight of 194.23 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-hydroxybenzoate is sourced from PubChem (CID 16330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).