3-(3-methoxyphenyl)oxetane

C10H12O2 — CID 130113867

IUPAC3-(3-methoxyphenyl)oxetane
SMILESCOc1cccc(C2COC2)c1
InChIInChI=1S/C10H12O2/c1-11-10-4-2-3-8(5-10)9-6-12-7-9/h2-5,9H,6-7H2,1H3
InChIKeyPVSWLBBAJKBWQS-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.81
Rot. Bonds2

About 3-(3-methoxyphenyl)oxetane

3-(3-methoxyphenyl)oxetane (PubChem CID 130113867) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)oxetane.

Molecular Properties

Compound Name3-(3-methoxyphenyl)oxetane
PubChem CID130113867
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-(3-methoxyphenyl)oxetane
SMILESCOc1cccc(C2COC2)c1
InChIInChI=1S/C10H12O2/c1-11-10-4-2-3-8(5-10)9-6-12-7-9/h2-5,9H,6-7H2,1H3
InChIKeyPVSWLBBAJKBWQS-UHFFFAOYSA-N
XLogP1.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
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CID 22882163
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
(2S,4R)-2-(iodomethyl)-4-(3-methoxyphenyl)oxolane
CID 125455983
1-methoxy-3-(3-methylidenecyclobutyl)benzene
CID 156818546
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CID 11062994
1-methoxy-3-(4-methylidenecyclohexyl)benzene
CID 89380194
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
3-(3-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 146276535
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)oxetane?
The IUPAC name of 3-(3-methoxyphenyl)oxetane (CID 130113867) is 3-(3-methoxyphenyl)oxetane.
What is the SMILES notation for 3-(3-methoxyphenyl)oxetane?
The canonical SMILES for 3-(3-methoxyphenyl)oxetane is COc1cccc(C2COC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)oxetane?
The InChIKey is PVSWLBBAJKBWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-11-10-4-2-3-8(5-10)9-6-12-7-9/h2-5,9H,6-7H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)oxetane?
3-(3-methoxyphenyl)oxetane has a molecular weight of 164.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)oxetane is sourced from PubChem (CID 130113867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).