4-hexoxy-2-hydroxybenzaldehyde

C13H18O3 — CID 13147236

IUPAC4-hexoxy-2-hydroxybenzaldehyde
SMILESCCCCCCOc1ccc(C=O)c(O)c1
InChIInChI=1S/C13H18O3/c1-2-3-4-5-8-16-12-7-6-11(10-14)13(15)9-12/h6-7,9-10,15H,2-5,8H2,1H3
InChIKeySXGZIJOZHSTSAJ-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.16
Rot. Bonds7

About 4-hexoxy-2-hydroxybenzaldehyde

4-hexoxy-2-hydroxybenzaldehyde (PubChem CID 13147236) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-hexoxy-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-hexoxy-2-hydroxybenzaldehyde
PubChem CID13147236
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-hexoxy-2-hydroxybenzaldehyde
SMILESCCCCCCOc1ccc(C=O)c(O)c1
InChIInChI=1S/C13H18O3/c1-2-3-4-5-8-16-12-7-6-11(10-14)13(15)9-12/h6-7,9-10,15H,2-5,8H2,1H3
InChIKeySXGZIJOZHSTSAJ-UHFFFAOYSA-N
XLogP3.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
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

4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde
CID 10291540
(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
2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol
CID 136826625
5-nonadecoxy-2-(octadecyliminomethyl)phenol
CID 136694995
5-hexoxy-2-(hexyliminomethyl)phenol
CID 136673235
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-2-hydroxybenzaldehyde?
The IUPAC name of 4-hexoxy-2-hydroxybenzaldehyde (CID 13147236) is 4-hexoxy-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-hexoxy-2-hydroxybenzaldehyde?
The canonical SMILES for 4-hexoxy-2-hydroxybenzaldehyde is CCCCCCOc1ccc(C=O)c(O)c1.
What is the InChIKey of 4-hexoxy-2-hydroxybenzaldehyde?
The InChIKey is SXGZIJOZHSTSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-3-4-5-8-16-12-7-6-11(10-14)13(15)9-12/h6-7,9-10,15H,2-5,8H2,1H3.
What are the key properties of 4-hexoxy-2-hydroxybenzaldehyde?
4-hexoxy-2-hydroxybenzaldehyde has a molecular weight of 222.28 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-2-hydroxybenzaldehyde is sourced from PubChem (CID 13147236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).