4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde

C11H14O3 — CID 117284471

IUPAC4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde
SMILESCC(C)(CO)c1cc(O)ccc1C=O
InChIInChI=1S/C11H14O3/c1-11(2,7-13)10-5-9(14)4-3-8(10)6-12/h3-6,13-14H,7H2,1-2H3
InChIKeyBABICOMYWNKTGW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.47
Rot. Bonds3

About 4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde

4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde (PubChem CID 117284471) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde
PubChem CID117284471
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde
SMILESCC(C)(CO)c1cc(O)ccc1C=O
InChIInChI=1S/C11H14O3/c1-11(2,7-13)10-5-9(14)4-3-8(10)6-12/h3-6,13-14H,7H2,1-2H3
InChIKeyBABICOMYWNKTGW-UHFFFAOYSA-N
XLogP1.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde
CID 117278276
4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
CID 117339956
2-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxybenzaldehyde
CID 117349264
4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 175442719
ethane;4-hydroxyphthalaldehyde
CID 90973394
2-[(2S)-2-amino-1-hydroxypropan-2-yl]benzene-1,4-diol
CID 130682329
acetic acid;4-hydroxy-2-iodobenzaldehyde
CID 175606546
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethoxybenzaldehyde
CID 117349266
5-hydroxy-2-(3-hydroxypropyl)benzaldehyde
CID 117278294
tert-butyl N-[4-(2-formyl-4-hydroxyphenyl)but-3-enyl]carbamate
CID 170490295
5-hydroxy-2-propan-2-ylbenzaldehyde
CID 20673581

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde?
The IUPAC name of 4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde (CID 117284471) is 4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde?
The canonical SMILES for 4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde is CC(C)(CO)c1cc(O)ccc1C=O.
What is the InChIKey of 4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde?
The InChIKey is BABICOMYWNKTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,7-13)10-5-9(14)4-3-8(10)6-12/h3-6,13-14H,7H2,1-2H3.
What are the key properties of 4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde?
4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde is sourced from PubChem (CID 117284471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).