acetic acid;4-hydroxybenzaldehyde

C9H10O4 — CID 86610069

IUPACacetic acid;4-hydroxybenzaldehyde
SMILESCC(=O)O.O=Cc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C2H4O2/c8-5-6-1-3-7(9)4-2-6;1-2(3)4/h1-5,9H;1H3,(H,3,4)
InChIKeyUWOKKZLYDFUSNF-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.30
Rot. Bonds1

About acetic acid;4-hydroxybenzaldehyde

acetic acid;4-hydroxybenzaldehyde (PubChem CID 86610069) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is acetic acid;4-hydroxybenzaldehyde.

Molecular Properties

Compound Nameacetic acid;4-hydroxybenzaldehyde
PubChem CID86610069
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Nameacetic acid;4-hydroxybenzaldehyde
SMILESCC(=O)O.O=Cc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C2H4O2/c8-5-6-1-3-7(9)4-2-6;1-2(3)4/h1-5,9H;1H3,(H,3,4)
InChIKeyUWOKKZLYDFUSNF-UHFFFAOYSA-N
XLogP1.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.30
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-hydroxybenzaldehyde;propan-2-ol
CID 18939132
ethanol;4-hydroxybenzaldehyde
CID 172788634
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
chloroethane;4-hydroxybenzaldehyde
CID 174574301
fluoroform;4-hydroxybenzaldehyde
CID 158009924
ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde
CID 136654998
2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde
CID 158794546
benzene;terephthalaldehyde
CID 163498156
4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid
CID 157275150
benzaldehyde;methyl 4-hydroxybenzoate
CID 174817646
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
acetyl chloride;benzaldehyde
CID 88812659

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-hydroxybenzaldehyde?
The IUPAC name of acetic acid;4-hydroxybenzaldehyde (CID 86610069) is acetic acid;4-hydroxybenzaldehyde.
What is the SMILES notation for acetic acid;4-hydroxybenzaldehyde?
The canonical SMILES for acetic acid;4-hydroxybenzaldehyde is CC(=O)O.O=Cc1ccc(O)cc1.
What is the InChIKey of acetic acid;4-hydroxybenzaldehyde?
The InChIKey is UWOKKZLYDFUSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C2H4O2/c8-5-6-1-3-7(9)4-2-6;1-2(3)4/h1-5,9H;1H3,(H,3,4).
What are the key properties of acetic acid;4-hydroxybenzaldehyde?
acetic acid;4-hydroxybenzaldehyde has a molecular weight of 182.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-hydroxybenzaldehyde is sourced from PubChem (CID 86610069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).