3-ethoxy-4-hydroxybenzaldehyde;formic acid

C10H12O5 — CID 175904717

IUPAC3-ethoxy-4-hydroxybenzaldehyde;formic acid
SMILESCCOc1cc(C=O)ccc1O.O=CO
InChIInChI=1S/C9H10O3.CH2O2/c1-2-12-9-5-7(6-10)3-4-8(9)11;2-1-3/h3-6,11H,2H2,1H3;1H,(H,2,3)
InChIKeyLZJKONSACMRYBY-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.30
Rot. Bonds3

About 3-ethoxy-4-hydroxybenzaldehyde;formic acid

3-ethoxy-4-hydroxybenzaldehyde;formic acid (PubChem CID 175904717) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-ethoxy-4-hydroxybenzaldehyde;formic acid.

Molecular Properties

Compound Name3-ethoxy-4-hydroxybenzaldehyde;formic acid
PubChem CID175904717
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name3-ethoxy-4-hydroxybenzaldehyde;formic acid
SMILESCCOc1cc(C=O)ccc1O.O=CO
InChIInChI=1S/C9H10O3.CH2O2/c1-2-12-9-5-7(6-10)3-4-8(9)11;2-1-3/h3-6,11H,2H2,1H3;1H,(H,2,3)
InChIKeyLZJKONSACMRYBY-UHFFFAOYSA-N
XLogP1.30
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

but-3-enoic acid;3-ethoxy-4-hydroxybenzaldehyde
CID 174907200
3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol
CID 175369176
(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enal
CID 82362855
benzaldehyde;2-ethoxybenzene-1,4-diol
CID 159645341
4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
CID 130345281
CID 130345281
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde;4-hydroxy-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 160989703
4-hydroxy-3-methylperoxybenzaldehyde
CID 131965744
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde
CID 160989704

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-hydroxybenzaldehyde;formic acid?
The IUPAC name of 3-ethoxy-4-hydroxybenzaldehyde;formic acid (CID 175904717) is 3-ethoxy-4-hydroxybenzaldehyde;formic acid.
What is the SMILES notation for 3-ethoxy-4-hydroxybenzaldehyde;formic acid?
The canonical SMILES for 3-ethoxy-4-hydroxybenzaldehyde;formic acid is CCOc1cc(C=O)ccc1O.O=CO.
What is the InChIKey of 3-ethoxy-4-hydroxybenzaldehyde;formic acid?
The InChIKey is LZJKONSACMRYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.CH2O2/c1-2-12-9-5-7(6-10)3-4-8(9)11;2-1-3/h3-6,11H,2H2,1H3;1H,(H,2,3).
What are the key properties of 3-ethoxy-4-hydroxybenzaldehyde;formic acid?
3-ethoxy-4-hydroxybenzaldehyde;formic acid has a molecular weight of 212.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-hydroxybenzaldehyde;formic acid is sourced from PubChem (CID 175904717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).