2-hexoxy-6-hydroxybenzaldehyde

C13H18O3 — CID 153494115

IUPAC2-hexoxy-6-hydroxybenzaldehyde
SMILESCCCCCCOc1cccc(O)c1C=O
InChIInChI=1S/C13H18O3/c1-2-3-4-5-9-16-13-8-6-7-12(15)11(13)10-14/h6-8,10,15H,2-5,9H2,1H3
InChIKeyDWYQBFUEFVCSQN-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.16
Rot. Bonds7

About 2-hexoxy-6-hydroxybenzaldehyde

2-hexoxy-6-hydroxybenzaldehyde (PubChem CID 153494115) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-hexoxy-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-hexoxy-6-hydroxybenzaldehyde
PubChem CID153494115
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-hexoxy-6-hydroxybenzaldehyde
SMILESCCCCCCOc1cccc(O)c1C=O
InChIInChI=1S/C13H18O3/c1-2-3-4-5-9-16-13-8-6-7-12(15)11(13)10-14/h6-8,10,15H,2-5,9H2,1H3
InChIKeyDWYQBFUEFVCSQN-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'}

Analyze 2-hexoxy-6-hydroxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-heptoxybenzaldehyde
CID 45282902
3-tetradecoxybenzene-1,2-diol
CID 152769078
2,6-di(nonoxy)phenol
CID 22024876
2-tridecoxyphenol
CID 67178320
2,6-diheptoxyphenol
CID 57426104
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
2-ethyl-3-hexoxyphenol
CID 118561746
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
2,3-dipentoxyphenol
CID 57426098
3-hydroxy-4-octoxybenzaldehyde
CID 59691799
(2-pentoxyphenyl) formate
CID 173195289

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-6-hydroxybenzaldehyde?
The IUPAC name of 2-hexoxy-6-hydroxybenzaldehyde (CID 153494115) is 2-hexoxy-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-hexoxy-6-hydroxybenzaldehyde?
The canonical SMILES for 2-hexoxy-6-hydroxybenzaldehyde is CCCCCCOc1cccc(O)c1C=O.
What is the InChIKey of 2-hexoxy-6-hydroxybenzaldehyde?
The InChIKey is DWYQBFUEFVCSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-3-4-5-9-16-13-8-6-7-12(15)11(13)10-14/h6-8,10,15H,2-5,9H2,1H3.
What are the key properties of 2-hexoxy-6-hydroxybenzaldehyde?
2-hexoxy-6-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 2-hexoxy-6-hydroxybenzaldehyde is sourced from PubChem (CID 153494115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).