(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one

C13H16O2 — CID 97041960

IUPAC(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
SMILESCC1(C)C(=O)C[C@H]1OCc1ccccc1
InChIInChI=1S/C13H16O2/c1-13(2)11(14)8-12(13)15-9-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyOQYCKJLAKYHLTP-GFCCVEGCSA-N
MW204.27 g/mol
LogP2.57
Rot. Bonds3

About (3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one

(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one (PubChem CID 97041960) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
PubChem CID97041960
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
SMILESCC1(C)C(=O)C[C@H]1OCc1ccccc1
InChIInChI=1S/C13H16O2/c1-13(2)11(14)8-12(13)15-9-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyOQYCKJLAKYHLTP-GFCCVEGCSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one?
The IUPAC name of (3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one (CID 97041960) is (3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one.
What is the SMILES notation for (3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one?
The canonical SMILES for (3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one is CC1(C)C(=O)C[C@H]1OCc1ccccc1.
What is the InChIKey of (3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one?
The InChIKey is OQYCKJLAKYHLTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(2)11(14)8-12(13)15-9-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one?
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one is sourced from PubChem (CID 97041960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).