2-ethyl-3-hexoxyphenol

C14H22O2 — CID 118561746

IUPAC2-ethyl-3-hexoxyphenol
SMILESCCCCCCOc1cccc(O)c1CC
InChIInChI=1S/C14H22O2/c1-3-5-6-7-11-16-14-10-8-9-13(15)12(14)4-2/h8-10,15H,3-7,11H2,1-2H3
InChIKeyHNMWSWXENFAUJA-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.91
Rot. Bonds7

About 2-ethyl-3-hexoxyphenol

2-ethyl-3-hexoxyphenol (PubChem CID 118561746) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-ethyl-3-hexoxyphenol.

Molecular Properties

Compound Name2-ethyl-3-hexoxyphenol
PubChem CID118561746
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-ethyl-3-hexoxyphenol
SMILESCCCCCCOc1cccc(O)c1CC
InChIInChI=1S/C14H22O2/c1-3-5-6-7-11-16-14-10-8-9-13(15)12(14)4-2/h8-10,15H,3-7,11H2,1-2H3
InChIKeyHNMWSWXENFAUJA-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-tetradecoxybenzene-1,2-diol
CID 152769078
2-tridecoxyphenol
CID 67178320
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
1,3-di(pentadecoxy)-2-propylbenzene
CID 91341779
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
2,3-dipentoxyphenol
CID 57426098
5-pentoxynaphthalen-1-ol
CID 67823980
2-ethyl-3-pentoxybenzamide
CID 67228177
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hexoxyphenol?
The IUPAC name of 2-ethyl-3-hexoxyphenol (CID 118561746) is 2-ethyl-3-hexoxyphenol.
What is the SMILES notation for 2-ethyl-3-hexoxyphenol?
The canonical SMILES for 2-ethyl-3-hexoxyphenol is CCCCCCOc1cccc(O)c1CC.
What is the InChIKey of 2-ethyl-3-hexoxyphenol?
The InChIKey is HNMWSWXENFAUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-5-6-7-11-16-14-10-8-9-13(15)12(14)4-2/h8-10,15H,3-7,11H2,1-2H3.
What are the key properties of 2-ethyl-3-hexoxyphenol?
2-ethyl-3-hexoxyphenol has a molecular weight of 222.33 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hexoxyphenol is sourced from PubChem (CID 118561746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).