2-hydroxy-4-pentadecylbenzaldehyde

C22H36O2 — CID 3270829

IUPAC2-hydroxy-4-pentadecylbenzaldehyde
SMILESCCCCCCCCCCCCCCCc1ccc(C=O)c(O)c1
InChIInChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17-21(19-23)22(24)18-20/h16-19,24H,2-15H2,1H3
InChIKeyZZTOKPSOZBFISA-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.84
Rot. Bonds15

About 2-hydroxy-4-pentadecylbenzaldehyde

2-hydroxy-4-pentadecylbenzaldehyde (PubChem CID 3270829) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-hydroxy-4-pentadecylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-pentadecylbenzaldehyde
PubChem CID3270829
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name2-hydroxy-4-pentadecylbenzaldehyde
SMILESCCCCCCCCCCCCCCCc1ccc(C=O)c(O)c1
InChIInChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17-21(19-23)22(24)18-20/h16-19,24H,2-15H2,1H3
InChIKeyZZTOKPSOZBFISA-UHFFFAOYSA-N
XLogP6.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
CID 174742388
2,4-dipentylbenzaldehyde
CID 19008550
2-ethyl-5-nonylphenol
CID 54394722
5-hexadecyl-2-[(4-hydroxyphenyl)methyl]benzene-1,3-dicarbaldehyde
CID 174485603
4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
CID 175900742
CID 175900742
2-butyl-5-pentadecylphenol
CID 175271686
2-iodo-5-pentadecylphenol
CID 11953466
2-ethyl-4-heptylphenol
CID 58289223
4-butyl-2-chlorobenzaldehyde
CID 106659115
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
5-decyl-2-[[(1S,2S)-2-[(4-dodecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;2-[[(1S,2S)-2-[(4-decyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-hexylphenol;2-[[(1S,2S)-2-[(4-dodecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-octylphenol;5-hexadecyl-2-[[(1S,2S)-2-[(4-hexadecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;5-hexyl-2-[[(1S,2S)-2-[(2-hydroxy-4-octylphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;2-[[(1S,2S)-2-[(2-hydroxy-4-icosylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-icosylphenol;platinum
CID 158542456

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-pentadecylbenzaldehyde?
The IUPAC name of 2-hydroxy-4-pentadecylbenzaldehyde (CID 3270829) is 2-hydroxy-4-pentadecylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-4-pentadecylbenzaldehyde?
The canonical SMILES for 2-hydroxy-4-pentadecylbenzaldehyde is CCCCCCCCCCCCCCCc1ccc(C=O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-pentadecylbenzaldehyde?
The InChIKey is ZZTOKPSOZBFISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17-21(19-23)22(24)18-20/h16-19,24H,2-15H2,1H3.
What are the key properties of 2-hydroxy-4-pentadecylbenzaldehyde?
2-hydroxy-4-pentadecylbenzaldehyde has a molecular weight of 332.53 g/mol, XLogP of 6.84, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-pentadecylbenzaldehyde is sourced from PubChem (CID 3270829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).