1-hydroxybutan-2-yl 4-hydroxybenzoate

C11H14O4 — CID 175013058

IUPAC1-hydroxybutan-2-yl 4-hydroxybenzoate
SMILESCCC(CO)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-2-10(7-12)15-11(14)8-3-5-9(13)6-4-8/h3-6,10,12-13H,2,7H2,1H3
InChIKeyVZOJPCFEEGOREV-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.32
Rot. Bonds4

About 1-hydroxybutan-2-yl 4-hydroxybenzoate

1-hydroxybutan-2-yl 4-hydroxybenzoate (PubChem CID 175013058) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-hydroxybutan-2-yl 4-hydroxybenzoate.

Molecular Properties

Compound Name1-hydroxybutan-2-yl 4-hydroxybenzoate
PubChem CID175013058
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-hydroxybutan-2-yl 4-hydroxybenzoate
SMILESCCC(CO)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-2-10(7-12)15-11(14)8-3-5-9(13)6-4-8/h3-6,10,12-13H,2,7H2,1H3
InChIKeyVZOJPCFEEGOREV-UHFFFAOYSA-N
XLogP1.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydroxypropan-2-yl 4-methylbenzoate
CID 66621527
pentan-3-yl 4-acetylbenzoate
CID 90396441
[(3S)-nonan-3-yl] 4-(4-hydroxyphenyl)benzoate
CID 69223470
diheptan-3-yl benzene-1,4-dicarboxylate
CID 66810889
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
1-hydroxypentan-3-yl benzoate
CID 66896563
ethane;pentan-3-yl 4-(dimethylamino)benzoate
CID 142196219
[2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate
CID 89282458
ethyl 4-hydroxybenzoate;propane-1,2,3-triol
CID 158935793
1-fluoroethyl 4-hydroxybenzoate
CID 175530732
[(2R,3R)-2-ethyl-3-(4-hydroxybenzoyl)oxyhexyl] 4-hydroxybenzoate
CID 132850623

Frequently Asked Questions

What is the IUPAC name of 1-hydroxybutan-2-yl 4-hydroxybenzoate?
The IUPAC name of 1-hydroxybutan-2-yl 4-hydroxybenzoate (CID 175013058) is 1-hydroxybutan-2-yl 4-hydroxybenzoate.
What is the SMILES notation for 1-hydroxybutan-2-yl 4-hydroxybenzoate?
The canonical SMILES for 1-hydroxybutan-2-yl 4-hydroxybenzoate is CCC(CO)OC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-hydroxybutan-2-yl 4-hydroxybenzoate?
The InChIKey is VZOJPCFEEGOREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-10(7-12)15-11(14)8-3-5-9(13)6-4-8/h3-6,10,12-13H,2,7H2,1H3.
What are the key properties of 1-hydroxybutan-2-yl 4-hydroxybenzoate?
1-hydroxybutan-2-yl 4-hydroxybenzoate has a molecular weight of 210.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybutan-2-yl 4-hydroxybenzoate is sourced from PubChem (CID 175013058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).