4-butyl-2,5-dihydroxybenzaldehyde

C11H14O3 — CID 174681209

IUPAC4-butyl-2,5-dihydroxybenzaldehyde
SMILESCCCCc1cc(O)c(C=O)cc1O
InChIInChI=1S/C11H14O3/c1-2-3-4-8-5-11(14)9(7-12)6-10(8)13/h5-7,13-14H,2-4H2,1H3
InChIKeyFPKIDLWIZQHIDH-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.25
Rot. Bonds4

About 4-butyl-2,5-dihydroxybenzaldehyde

4-butyl-2,5-dihydroxybenzaldehyde (PubChem CID 174681209) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-butyl-2,5-dihydroxybenzaldehyde.

Molecular Properties

Compound Name4-butyl-2,5-dihydroxybenzaldehyde
PubChem CID174681209
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-butyl-2,5-dihydroxybenzaldehyde
SMILESCCCCc1cc(O)c(C=O)cc1O
InChIInChI=1S/C11H14O3/c1-2-3-4-8-5-11(14)9(7-12)6-10(8)13/h5-7,13-14H,2-4H2,1H3
InChIKeyFPKIDLWIZQHIDH-UHFFFAOYSA-N
XLogP2.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-hydroxy-2-propylbenzaldehyde
CID 176998466
3-butyl-5-chloro-2-hydroxybenzaldehyde
CID 130306548
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
4-bromo-5-butyl-2-propylphenol
CID 118092192
5-[[5-butyl-3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-2-hydroxybenzaldehyde
CID 87221690
4-hydroxy-3-pentylbenzaldehyde
CID 57447727
4-butyl-6-chlorobenzene-1,3-diol
CID 23195020
2-hydroxy-4-pentadecylbenzaldehyde
CID 3270829
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248
4,5-didecylbenzene-1,2-diol
CID 15667809
magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
CID 174742388
5-butyl-2,3,4-trimethylphenol
CID 150949737

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,5-dihydroxybenzaldehyde?
The IUPAC name of 4-butyl-2,5-dihydroxybenzaldehyde (CID 174681209) is 4-butyl-2,5-dihydroxybenzaldehyde.
What is the SMILES notation for 4-butyl-2,5-dihydroxybenzaldehyde?
The canonical SMILES for 4-butyl-2,5-dihydroxybenzaldehyde is CCCCc1cc(O)c(C=O)cc1O.
What is the InChIKey of 4-butyl-2,5-dihydroxybenzaldehyde?
The InChIKey is FPKIDLWIZQHIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-4-8-5-11(14)9(7-12)6-10(8)13/h5-7,13-14H,2-4H2,1H3.
What are the key properties of 4-butyl-2,5-dihydroxybenzaldehyde?
4-butyl-2,5-dihydroxybenzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,5-dihydroxybenzaldehyde is sourced from PubChem (CID 174681209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).