3-phenylmethoxycyclobutan-1-ol

C11H14O2 — CID 22609921

IUPAC3-phenylmethoxycyclobutan-1-ol
SMILESOC1CC(OCc2ccccc2)C1
InChIInChI=1S/C11H14O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyZGSDRBWWICYJBU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.73
Rot. Bonds3

About 3-phenylmethoxycyclobutan-1-ol

3-phenylmethoxycyclobutan-1-ol (PubChem CID 22609921) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-phenylmethoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-phenylmethoxycyclobutan-1-ol
PubChem CID22609921
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-phenylmethoxycyclobutan-1-ol
SMILESOC1CC(OCc2ccccc2)C1
InChIInChI=1S/C11H14O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyZGSDRBWWICYJBU-UHFFFAOYSA-N
XLogP1.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxycyclobutan-1-ol?
The IUPAC name of 3-phenylmethoxycyclobutan-1-ol (CID 22609921) is 3-phenylmethoxycyclobutan-1-ol.
What is the SMILES notation for 3-phenylmethoxycyclobutan-1-ol?
The canonical SMILES for 3-phenylmethoxycyclobutan-1-ol is OC1CC(OCc2ccccc2)C1.
What is the InChIKey of 3-phenylmethoxycyclobutan-1-ol?
The InChIKey is ZGSDRBWWICYJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2.
What are the key properties of 3-phenylmethoxycyclobutan-1-ol?
3-phenylmethoxycyclobutan-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxycyclobutan-1-ol is sourced from PubChem (CID 22609921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).