(3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane

C17H26O4 — CID 160629568

IUPAC(3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane
SMILESCC1(COc2ccccc2)COC1.CCC1(CO)COC1
InChIInChI=1S/C11H14O2.C6H12O2/c1-11(7-12-8-11)9-13-10-5-3-2-4-6-10;1-2-6(3-7)4-8-5-6/h2-6H,7-9H2,1H3;7H,2-5H2,1H3
InChIKeyRHTBQHHYROWCGY-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.51
Rot. Bonds5

About (3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane

(3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane (PubChem CID 160629568) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane
PubChem CID160629568
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane
SMILESCC1(COc2ccccc2)COC1.CCC1(CO)COC1
InChIInChI=1S/C11H14O2.C6H12O2/c1-11(7-12-8-11)9-13-10-5-3-2-4-6-10;1-2-6(3-7)4-8-5-6/h2-6H,7-9H2,1H3;7H,2-5H2,1H3
InChIKeyRHTBQHHYROWCGY-UHFFFAOYSA-N
XLogP2.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane?
The IUPAC name of (3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane (CID 160629568) is (3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane.
What is the SMILES notation for (3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane?
The canonical SMILES for (3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane is CC1(COc2ccccc2)COC1.CCC1(CO)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane?
The InChIKey is RHTBQHHYROWCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C6H12O2/c1-11(7-12-8-11)9-13-10-5-3-2-4-6-10;1-2-6(3-7)4-8-5-6/h2-6H,7-9H2,1H3;7H,2-5H2,1H3.
What are the key properties of (3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane?
(3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane has a molecular weight of 294.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane is sourced from PubChem (CID 160629568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).