ethanol;4-hydroxybenzaldehyde

C9H12O3 — CID 172788634

IUPACethanol;4-hydroxybenzaldehyde
SMILESCCO.O=Cc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C2H6O/c8-5-6-1-3-7(9)4-2-6;1-2-3/h1-5,9H;3H,2H2,1H3
InChIKeyPGFSTEOEDQOZOK-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.20
Rot. Bonds1

About ethanol;4-hydroxybenzaldehyde

ethanol;4-hydroxybenzaldehyde (PubChem CID 172788634) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is ethanol;4-hydroxybenzaldehyde.

Molecular Properties

Compound Nameethanol;4-hydroxybenzaldehyde
PubChem CID172788634
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Nameethanol;4-hydroxybenzaldehyde
SMILESCCO.O=Cc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C2H6O/c8-5-6-1-3-7(9)4-2-6;1-2-3/h1-5,9H;3H,2H2,1H3
InChIKeyPGFSTEOEDQOZOK-UHFFFAOYSA-N
XLogP1.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanol;4-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

chloroethane;4-hydroxybenzaldehyde
CID 174574301
acetic acid;4-hydroxybenzaldehyde
CID 86610069
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
fluoroform;4-hydroxybenzaldehyde
CID 158009924
ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde
CID 136654998
4-hydroxybenzaldehyde;1-phenylpropane-1,1-diol
CID 174730907
4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one
CID 174470153
2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde
CID 159655150
ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 159734710
2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde
CID 158794546
ethane-1,2-diol;4-fluorobenzaldehyde
CID 175223595

Frequently Asked Questions

What is the IUPAC name of ethanol;4-hydroxybenzaldehyde?
The IUPAC name of ethanol;4-hydroxybenzaldehyde (CID 172788634) is ethanol;4-hydroxybenzaldehyde.
What is the SMILES notation for ethanol;4-hydroxybenzaldehyde?
The canonical SMILES for ethanol;4-hydroxybenzaldehyde is CCO.O=Cc1ccc(O)cc1.
What is the InChIKey of ethanol;4-hydroxybenzaldehyde?
The InChIKey is PGFSTEOEDQOZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C2H6O/c8-5-6-1-3-7(9)4-2-6;1-2-3/h1-5,9H;3H,2H2,1H3.
What are the key properties of ethanol;4-hydroxybenzaldehyde?
ethanol;4-hydroxybenzaldehyde has a molecular weight of 168.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-hydroxybenzaldehyde is sourced from PubChem (CID 172788634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).