4-hydroxybenzaldehyde;propan-2-ol

C10H14O3 — CID 18939132

IUPAC4-hydroxybenzaldehyde;propan-2-ol
SMILESCC(C)O.O=Cc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C3H8O/c8-5-6-1-3-7(9)4-2-6;1-3(2)4/h1-5,9H;3-4H,1-2H3
InChIKeyZPSXWUVJTRUXST-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.59
Rot. Bonds1

About 4-hydroxybenzaldehyde;propan-2-ol

4-hydroxybenzaldehyde;propan-2-ol (PubChem CID 18939132) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-hydroxybenzaldehyde;propan-2-ol.

Molecular Properties

Compound Name4-hydroxybenzaldehyde;propan-2-ol
PubChem CID18939132
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-hydroxybenzaldehyde;propan-2-ol
SMILESCC(C)O.O=Cc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C3H8O/c8-5-6-1-3-7(9)4-2-6;1-3(2)4/h1-5,9H;3-4H,1-2H3
InChIKeyZPSXWUVJTRUXST-UHFFFAOYSA-N
XLogP1.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.59
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

fluoroform;4-hydroxybenzaldehyde
CID 158009924
acetic acid;4-hydroxybenzaldehyde
CID 86610069
ethanol;4-hydroxybenzaldehyde
CID 172788634
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
chloroethane;4-hydroxybenzaldehyde
CID 174574301
4-ethenylphenol;propan-2-ol
CID 159910746
ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde
CID 136654998
2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde
CID 158794546
4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde
CID 165110460
4-propan-2-ylbenzaldehyde
CID 326
[4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate
CID 89068423
4-(3-aminopropyl)benzaldehyde;propan-2-ol
CID 19825248

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzaldehyde;propan-2-ol?
The IUPAC name of 4-hydroxybenzaldehyde;propan-2-ol (CID 18939132) is 4-hydroxybenzaldehyde;propan-2-ol.
What is the SMILES notation for 4-hydroxybenzaldehyde;propan-2-ol?
The canonical SMILES for 4-hydroxybenzaldehyde;propan-2-ol is CC(C)O.O=Cc1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzaldehyde;propan-2-ol?
The InChIKey is ZPSXWUVJTRUXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C3H8O/c8-5-6-1-3-7(9)4-2-6;1-3(2)4/h1-5,9H;3-4H,1-2H3.
What are the key properties of 4-hydroxybenzaldehyde;propan-2-ol?
4-hydroxybenzaldehyde;propan-2-ol has a molecular weight of 182.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzaldehyde;propan-2-ol is sourced from PubChem (CID 18939132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).