3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol

C14H20O3 — CID 68631310

IUPAC3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol
SMILESCCC1(COC(C)c2cccc(O)c2)COC1
InChIInChI=1S/C14H20O3/c1-3-14(8-16-9-14)10-17-11(2)12-5-4-6-13(15)7-12/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyXRUTUWKBINIPDU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.90
Rot. Bonds5

About 3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol

3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol (PubChem CID 68631310) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol
PubChem CID68631310
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol
SMILESCCC1(COC(C)c2cccc(O)c2)COC1
InChIInChI=1S/C14H20O3/c1-3-14(8-16-9-14)10-17-11(2)12-5-4-6-13(15)7-12/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyXRUTUWKBINIPDU-UHFFFAOYSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol?
The IUPAC name of 3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol (CID 68631310) is 3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol.
What is the SMILES notation for 3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol?
The canonical SMILES for 3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol is CCC1(COC(C)c2cccc(O)c2)COC1.
What is the InChIKey of 3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol?
The InChIKey is XRUTUWKBINIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-14(8-16-9-14)10-17-11(2)12-5-4-6-13(15)7-12/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of 3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol?
3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol is sourced from PubChem (CID 68631310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).