3-hydroxy-2-propan-2-ylbenzaldehyde

C10H12O2 — CID 22259582

IUPAC3-hydroxy-2-propan-2-ylbenzaldehyde
SMILESCC(C)c1c(O)cccc1C=O
InChIInChI=1S/C10H12O2/c1-7(2)10-8(6-11)4-3-5-9(10)12/h3-7,12H,1-2H3
InChIKeyQAFYEFGAVUPYNO-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.33
Rot. Bonds2

About 3-hydroxy-2-propan-2-ylbenzaldehyde

3-hydroxy-2-propan-2-ylbenzaldehyde (PubChem CID 22259582) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-hydroxy-2-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-hydroxy-2-propan-2-ylbenzaldehyde
PubChem CID22259582
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-hydroxy-2-propan-2-ylbenzaldehyde
SMILESCC(C)c1c(O)cccc1C=O
InChIInChI=1S/C10H12O2/c1-7(2)10-8(6-11)4-3-5-9(10)12/h3-7,12H,1-2H3
InChIKeyQAFYEFGAVUPYNO-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde
CID 82408569
3-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
CID 82400506
3-formyl-2-propan-2-ylbenzonitrile
CID 13170202
2,3-dihydroxybenzaldehyde
CID 159243971
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde
CID 174929172
2-fluoro-3-hydroxybenzaldehyde
CID 587789
2-hydroxy-6-propan-2-ylbenzaldehyde
CID 45096217
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-propan-2-ylbenzaldehyde?
The IUPAC name of 3-hydroxy-2-propan-2-ylbenzaldehyde (CID 22259582) is 3-hydroxy-2-propan-2-ylbenzaldehyde.
What is the SMILES notation for 3-hydroxy-2-propan-2-ylbenzaldehyde?
The canonical SMILES for 3-hydroxy-2-propan-2-ylbenzaldehyde is CC(C)c1c(O)cccc1C=O.
What is the InChIKey of 3-hydroxy-2-propan-2-ylbenzaldehyde?
The InChIKey is QAFYEFGAVUPYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(2)10-8(6-11)4-3-5-9(10)12/h3-7,12H,1-2H3.
What are the key properties of 3-hydroxy-2-propan-2-ylbenzaldehyde?
3-hydroxy-2-propan-2-ylbenzaldehyde has a molecular weight of 164.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-propan-2-ylbenzaldehyde is sourced from PubChem (CID 22259582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).