3-(4-ethylhex-3-enoxy)phenol

C14H20O2 — CID 15329857

IUPAC3-(4-ethylhex-3-enoxy)phenol
SMILESCCC(=CCCOc1cccc(O)c1)CC
InChIInChI=1S/C14H20O2/c1-3-12(4-2)7-6-10-16-14-9-5-8-13(15)11-14/h5,7-9,11,15H,3-4,6,10H2,1-2H3
InChIKeyKPBKEXAVGGEJMS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.91
Rot. Bonds6

About 3-(4-ethylhex-3-enoxy)phenol

3-(4-ethylhex-3-enoxy)phenol (PubChem CID 15329857) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(4-ethylhex-3-enoxy)phenol.

Molecular Properties

Compound Name3-(4-ethylhex-3-enoxy)phenol
PubChem CID15329857
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(4-ethylhex-3-enoxy)phenol
SMILESCCC(=CCCOc1cccc(O)c1)CC
InChIInChI=1S/C14H20O2/c1-3-12(4-2)7-6-10-16-14-9-5-8-13(15)11-14/h5,7-9,11,15H,3-4,6,10H2,1-2H3
InChIKeyKPBKEXAVGGEJMS-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyphenoxy)propanal
CID 84765037
3-dodecoxyphenol
CID 15719132
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
formic acid;3-hexoxyphenol
CID 174800460
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-(3-ethylsulfonylpropoxy)phenol
CID 65097968
3-ethoxyphenol;iodoethane
CID 162028202
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-(3-fluorobutoxy)phenol
CID 84659596
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylhex-3-enoxy)phenol?
The IUPAC name of 3-(4-ethylhex-3-enoxy)phenol (CID 15329857) is 3-(4-ethylhex-3-enoxy)phenol.
What is the SMILES notation for 3-(4-ethylhex-3-enoxy)phenol?
The canonical SMILES for 3-(4-ethylhex-3-enoxy)phenol is CCC(=CCCOc1cccc(O)c1)CC.
What is the InChIKey of 3-(4-ethylhex-3-enoxy)phenol?
The InChIKey is KPBKEXAVGGEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-12(4-2)7-6-10-16-14-9-5-8-13(15)11-14/h5,7-9,11,15H,3-4,6,10H2,1-2H3.
What are the key properties of 3-(4-ethylhex-3-enoxy)phenol?
3-(4-ethylhex-3-enoxy)phenol has a molecular weight of 220.31 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylhex-3-enoxy)phenol is sourced from PubChem (CID 15329857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).