2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one

C14H18O2 — CID 126970265

IUPAC2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one
SMILESCC1(C)C(=O)CC1COCc1ccccc1
InChIInChI=1S/C14H18O2/c1-14(2)12(8-13(14)15)10-16-9-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyRHQCDCBWHHVVRC-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.82
Rot. Bonds4

About 2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one

2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one (PubChem CID 126970265) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one
PubChem CID126970265
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one
SMILESCC1(C)C(=O)CC1COCc1ccccc1
InChIInChI=1S/C14H18O2/c1-14(2)12(8-13(14)15)10-16-9-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyRHQCDCBWHHVVRC-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one?
The IUPAC name of 2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one (CID 126970265) is 2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one?
The canonical SMILES for 2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one is CC1(C)C(=O)CC1COCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one?
The InChIKey is RHQCDCBWHHVVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2)12(8-13(14)15)10-16-9-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one?
2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one is sourced from PubChem (CID 126970265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).