2-phenoxycyclobutan-1-one

C10H10O2 — CID 12791410

IUPAC2-phenoxycyclobutan-1-one
SMILESO=C1CCC1Oc1ccccc1
InChIInChI=1S/C10H10O2/c11-9-6-7-10(9)12-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyNBYGTNTVUONVID-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.80
Rot. Bonds2

About 2-phenoxycyclobutan-1-one

2-phenoxycyclobutan-1-one (PubChem CID 12791410) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-phenoxycyclobutan-1-one.

Molecular Properties

Compound Name2-phenoxycyclobutan-1-one
PubChem CID12791410
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2-phenoxycyclobutan-1-one
SMILESO=C1CCC1Oc1ccccc1
InChIInChI=1S/C10H10O2/c11-9-6-7-10(9)12-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyNBYGTNTVUONVID-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxycyclobutan-1-one?
The IUPAC name of 2-phenoxycyclobutan-1-one (CID 12791410) is 2-phenoxycyclobutan-1-one.
What is the SMILES notation for 2-phenoxycyclobutan-1-one?
The canonical SMILES for 2-phenoxycyclobutan-1-one is O=C1CCC1Oc1ccccc1.
What is the InChIKey of 2-phenoxycyclobutan-1-one?
The InChIKey is NBYGTNTVUONVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-9-6-7-10(9)12-8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of 2-phenoxycyclobutan-1-one?
2-phenoxycyclobutan-1-one has a molecular weight of 162.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxycyclobutan-1-one is sourced from PubChem (CID 12791410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).