4-butan-2-yloxybenzoic acid

C11H14O3 — CID 5132695

IUPAC4-butan-2-yloxybenzoic acid
SMILESCCC(C)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14O3/c1-3-8(2)14-10-6-4-9(5-7-10)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyLCMFDJQAHNDLEI-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.56
Rot. Bonds4

About 4-butan-2-yloxybenzoic acid

4-butan-2-yloxybenzoic acid (PubChem CID 5132695) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-butan-2-yloxybenzoic acid.

Molecular Properties

Compound Name4-butan-2-yloxybenzoic acid
PubChem CID5132695
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-butan-2-yloxybenzoic acid
SMILESCCC(C)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14O3/c1-3-8(2)14-10-6-4-9(5-7-10)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyLCMFDJQAHNDLEI-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-butan-2-yloxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
4-hexan-2-yloxybenzoic acid
CID 19593666
4-(4,4-dimethylpentan-2-yloxy)benzoic acid
CID 144989125
3-(4-butan-2-yloxyphenyl)but-2-enoic acid
CID 151273167
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
4-[4-[(2R,4R)-4-chloropentan-2-yl]oxyphenyl]benzoic acid
CID 139842101
4-but-3-yn-2-yloxybenzoic acid
CID 106794632
5-bromo-2-(4-butan-2-yloxybenzoyl)oxybenzoic acid
CID 54854474
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
3-[(2R)-butan-2-yl]oxy-5-(4-fluorophenoxy)benzoic acid
CID 66969772
(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367835
4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
CID 17141392

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxybenzoic acid?
The IUPAC name of 4-butan-2-yloxybenzoic acid (CID 5132695) is 4-butan-2-yloxybenzoic acid.
What is the SMILES notation for 4-butan-2-yloxybenzoic acid?
The canonical SMILES for 4-butan-2-yloxybenzoic acid is CCC(C)Oc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-butan-2-yloxybenzoic acid?
The InChIKey is LCMFDJQAHNDLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-8(2)14-10-6-4-9(5-7-10)11(12)13/h4-8H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-butan-2-yloxybenzoic acid?
4-butan-2-yloxybenzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxybenzoic acid is sourced from PubChem (CID 5132695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).