ethane;2-phenylmethoxycyclobutan-1-one

C13H18O2 — CID 143382516

IUPACethane;2-phenylmethoxycyclobutan-1-one
SMILESCC.O=C1CCC1OCc1ccccc1
InChIInChI=1S/C11H12O2.C2H6/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9;1-2/h1-5,11H,6-8H2;1-2H3
InChIKeyNTOBRVQYPNXFJE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.96
Rot. Bonds3

About ethane;2-phenylmethoxycyclobutan-1-one

ethane;2-phenylmethoxycyclobutan-1-one (PubChem CID 143382516) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is ethane;2-phenylmethoxycyclobutan-1-one.

Molecular Properties

Compound Nameethane;2-phenylmethoxycyclobutan-1-one
PubChem CID143382516
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Nameethane;2-phenylmethoxycyclobutan-1-one
SMILESCC.O=C1CCC1OCc1ccccc1
InChIInChI=1S/C11H12O2.C2H6/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9;1-2/h1-5,11H,6-8H2;1-2H3
InChIKeyNTOBRVQYPNXFJE-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-phenylmethoxycyclobutan-1-one?
The IUPAC name of ethane;2-phenylmethoxycyclobutan-1-one (CID 143382516) is ethane;2-phenylmethoxycyclobutan-1-one.
What is the SMILES notation for ethane;2-phenylmethoxycyclobutan-1-one?
The canonical SMILES for ethane;2-phenylmethoxycyclobutan-1-one is CC.O=C1CCC1OCc1ccccc1.
What is the InChIKey of ethane;2-phenylmethoxycyclobutan-1-one?
The InChIKey is NTOBRVQYPNXFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C2H6/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9;1-2/h1-5,11H,6-8H2;1-2H3.
What are the key properties of ethane;2-phenylmethoxycyclobutan-1-one?
ethane;2-phenylmethoxycyclobutan-1-one has a molecular weight of 206.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenylmethoxycyclobutan-1-one is sourced from PubChem (CID 143382516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).