4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde

C21H34O4 — CID 10291540

IUPAC4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde
SMILESCCCCCCCCCCCCOCCOc1ccc(C=O)c(O)c1
InChIInChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-15-16-25-20-13-12-19(18-22)21(23)17-20/h12-13,17-18,23H,2-11,14-16H2,1H3
InChIKeyMBENMENADPVLCR-UHFFFAOYSA-N
MW350.50 g/mol
LogP5.52
Rot. Bonds16

About 4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde

4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde (PubChem CID 10291540) has the molecular formula C21H34O4 and a molecular weight of 350.50 g/mol. Its IUPAC name is 4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde
PubChem CID10291540
Molecular FormulaC21H34O4
Molecular Weight350.50 g/mol
Exact Mass350.25
IUPAC Name4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde
SMILESCCCCCCCCCCCCOCCOc1ccc(C=O)c(O)c1
InChIInChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-15-16-25-20-13-12-19(18-22)21(23)17-20/h12-13,17-18,23H,2-11,14-16H2,1H3
InChIKeyMBENMENADPVLCR-UHFFFAOYSA-N
XLogP5.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
(4-formyl-3-hydroxyphenyl) 4-octoxybenzoate
CID 14416252
(4-formyl-3-hydroxyphenyl) 4-pentoxybenzoate
CID 71420117
5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 136897173
2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
CID 86617706
2,3-bis(2-hydroxy-4-octoxyphenyl)benzaldehyde
CID 175013627
4-hexoxybenzene-1,2-diol
CID 23459322
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
5-nonadecoxy-2-(octadecyliminomethyl)phenol
CID 136694995
2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol
CID 136826625
5-hexoxy-2-(hexyliminomethyl)phenol
CID 136673235
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989

Frequently Asked Questions

What is the IUPAC name of 4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde (CID 10291540) is 4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde is CCCCCCCCCCCCOCCOc1ccc(C=O)c(O)c1.
What is the InChIKey of 4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde?
The InChIKey is MBENMENADPVLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-15-16-25-20-13-12-19(18-22)21(23)17-20/h12-13,17-18,23H,2-11,14-16H2,1H3.
What are the key properties of 4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde?
4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde has a molecular weight of 350.50 g/mol, XLogP of 5.52, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde is sourced from PubChem (CID 10291540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).