2-decyl-3-hydroxybenzaldehyde

C17H26O2 — CID 141168439

IUPAC2-decyl-3-hydroxybenzaldehyde
SMILESCCCCCCCCCCc1c(O)cccc1C=O
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-12-16-15(14-18)11-10-13-17(16)19/h10-11,13-14,19H,2-9,12H2,1H3
InChIKeyGODFSQCVCZAKBG-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.89
Rot. Bonds10

About 2-decyl-3-hydroxybenzaldehyde

2-decyl-3-hydroxybenzaldehyde (PubChem CID 141168439) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-decyl-3-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-decyl-3-hydroxybenzaldehyde
PubChem CID141168439
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-decyl-3-hydroxybenzaldehyde
SMILESCCCCCCCCCCc1c(O)cccc1C=O
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-12-16-15(14-18)11-10-13-17(16)19/h10-11,13-14,19H,2-9,12H2,1H3
InChIKeyGODFSQCVCZAKBG-UHFFFAOYSA-N
XLogP4.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.89
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

2,3-dioctylbenzaldehyde
CID 175319778
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2-pentylbenzene-1,3-diol
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CID 173140007
CID 173140007
3-ethyl-2-octylphenol
CID 66867297
2-hexyl-3-methylphenol
CID 28322
2,3-dihexylbenzene-1,4-diol
CID 69329716
2,3-di(nonadecyl)phenol
CID 151687635
3-amino-2-decylphenol
CID 70595254
2-butyl-3-hexylphenol
CID 141346396
3-chloro-2-heptylphenol
CID 71090054
3-butyl-2-hexylphenol
CID 66867063

Frequently Asked Questions

What is the IUPAC name of 2-decyl-3-hydroxybenzaldehyde?
The IUPAC name of 2-decyl-3-hydroxybenzaldehyde (CID 141168439) is 2-decyl-3-hydroxybenzaldehyde.
What is the SMILES notation for 2-decyl-3-hydroxybenzaldehyde?
The canonical SMILES for 2-decyl-3-hydroxybenzaldehyde is CCCCCCCCCCc1c(O)cccc1C=O.
What is the InChIKey of 2-decyl-3-hydroxybenzaldehyde?
The InChIKey is GODFSQCVCZAKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-12-16-15(14-18)11-10-13-17(16)19/h10-11,13-14,19H,2-9,12H2,1H3.
What are the key properties of 2-decyl-3-hydroxybenzaldehyde?
2-decyl-3-hydroxybenzaldehyde has a molecular weight of 262.39 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-hydroxybenzaldehyde is sourced from PubChem (CID 141168439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).