3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane

C19H22O2 — CID 139890005

IUPAC3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane
SMILESCCC1(COCc2ccccc2-c2ccccc2)COC1
InChIInChI=1S/C19H22O2/c1-2-19(14-21-15-19)13-20-12-17-10-6-7-11-18(17)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyCOBMKVPSRRUDBM-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.30
Rot. Bonds6

About 3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane

3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane (PubChem CID 139890005) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane
PubChem CID139890005
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane
SMILESCCC1(COCc2ccccc2-c2ccccc2)COC1
InChIInChI=1S/C19H22O2/c1-2-19(14-21-15-19)13-20-12-17-10-6-7-11-18(17)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyCOBMKVPSRRUDBM-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane (CID 139890005) is 3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane is CCC1(COCc2ccccc2-c2ccccc2)COC1.
What is the InChIKey of 3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane?
The InChIKey is COBMKVPSRRUDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-19(14-21-15-19)13-20-12-17-10-6-7-11-18(17)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of 3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane?
3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane has a molecular weight of 282.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane is sourced from PubChem (CID 139890005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).