5-(2,6-dihydroxyphenyl)pentanal

C11H14O3 — CID 142935696

IUPAC5-(2,6-dihydroxyphenyl)pentanal
SMILESO=CCCCCc1c(O)cccc1O
InChIInChI=1S/C11H14O3/c12-8-3-1-2-5-9-10(13)6-4-7-11(9)14/h4,6-8,13-14H,1-3,5H2
InChIKeyMJKGDOWFLQTRCS-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.01
Rot. Bonds5

About 5-(2,6-dihydroxyphenyl)pentanal

5-(2,6-dihydroxyphenyl)pentanal (PubChem CID 142935696) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(2,6-dihydroxyphenyl)pentanal.

Molecular Properties

Compound Name5-(2,6-dihydroxyphenyl)pentanal
PubChem CID142935696
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-(2,6-dihydroxyphenyl)pentanal
SMILESO=CCCCCc1c(O)cccc1O
InChIInChI=1S/C11H14O3/c12-8-3-1-2-5-9-10(13)6-4-7-11(9)14/h4,6-8,13-14H,1-3,5H2
InChIKeyMJKGDOWFLQTRCS-UHFFFAOYSA-N
XLogP2.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,6-difluorophenyl)hexanal
CID 87065996
3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal
CID 117310513
2,4-dihydroxy-3-(4-oxobutyl)benzaldehyde
CID 87902577
2-pentylbenzene-1,3-diol
CID 15007741
2-(4-aminobutyl)benzene-1,3-diol
CID 117278743
3-hydroxy-6-methyl-2-(4-oxobutyl)benzaldehyde
CID 88651985
5-[4-(4-oxobutyl)phenyl]pentanal
CID 86059297
2-decyl-3-hydroxybenzaldehyde
CID 141168439
5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal
CID 153295499
3-(2,6-dimethylphenyl)propanal
CID 73014071
5-(4-hydroxy-3,5-dimethylphenyl)pentanal
CID 10058811
ethane;methanamine;11-phenylundecanal
CID 153398504

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dihydroxyphenyl)pentanal?
The IUPAC name of 5-(2,6-dihydroxyphenyl)pentanal (CID 142935696) is 5-(2,6-dihydroxyphenyl)pentanal.
What is the SMILES notation for 5-(2,6-dihydroxyphenyl)pentanal?
The canonical SMILES for 5-(2,6-dihydroxyphenyl)pentanal is O=CCCCCc1c(O)cccc1O.
What is the InChIKey of 5-(2,6-dihydroxyphenyl)pentanal?
The InChIKey is MJKGDOWFLQTRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-8-3-1-2-5-9-10(13)6-4-7-11(9)14/h4,6-8,13-14H,1-3,5H2.
What are the key properties of 5-(2,6-dihydroxyphenyl)pentanal?
5-(2,6-dihydroxyphenyl)pentanal has a molecular weight of 194.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dihydroxyphenyl)pentanal is sourced from PubChem (CID 142935696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).