4-butan-2-yl-2-hydroxybenzaldehyde

C11H14O2 — CID 10236044

IUPAC4-butan-2-yl-2-hydroxybenzaldehyde
SMILESCCC(C)c1ccc(C=O)c(O)c1
InChIInChI=1S/C11H14O2/c1-3-8(2)9-4-5-10(7-12)11(13)6-9/h4-8,13H,3H2,1-2H3
InChIKeyWFPGSKOBMQUBQI-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.72
Rot. Bonds3

About 4-butan-2-yl-2-hydroxybenzaldehyde

4-butan-2-yl-2-hydroxybenzaldehyde (PubChem CID 10236044) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-butan-2-yl-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-butan-2-yl-2-hydroxybenzaldehyde
PubChem CID10236044
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-butan-2-yl-2-hydroxybenzaldehyde
SMILESCCC(C)c1ccc(C=O)c(O)c1
InChIInChI=1S/C11H14O2/c1-3-8(2)9-4-5-10(7-12)11(13)6-9/h4-8,13H,3H2,1-2H3
InChIKeyWFPGSKOBMQUBQI-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-butan-2-yl-2-hydroxybenzaldehyde 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

5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
4-butan-2-yl-2-hydroxybenzoic acid
CID 54169876
5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
CID 141260416
4-butan-2-yl-2-[(Z)-2-[1-hydroxypropan-2-yl(methyl)amino]ethenyl]benzaldehyde
CID 143544429
2-butan-2-yl-4-hydroxybenzene-1,3-dicarbaldehyde
CID 91620087
6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
CID 22082143
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 137028699
5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde
CID 105477801
2-(aminomethyl)-4-butan-2-ylphenol;hydrochloride
CID 21430763

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-hydroxybenzaldehyde?
The IUPAC name of 4-butan-2-yl-2-hydroxybenzaldehyde (CID 10236044) is 4-butan-2-yl-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-butan-2-yl-2-hydroxybenzaldehyde?
The canonical SMILES for 4-butan-2-yl-2-hydroxybenzaldehyde is CCC(C)c1ccc(C=O)c(O)c1.
What is the InChIKey of 4-butan-2-yl-2-hydroxybenzaldehyde?
The InChIKey is WFPGSKOBMQUBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-8(2)9-4-5-10(7-12)11(13)6-9/h4-8,13H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-hydroxybenzaldehyde?
4-butan-2-yl-2-hydroxybenzaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-hydroxybenzaldehyde is sourced from PubChem (CID 10236044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).