3-(phenylmethoxymethyl)cyclobutan-1-ol

C12H16O2 — CID 10442570

IUPAC3-(phenylmethoxymethyl)cyclobutan-1-ol
SMILESOC1CC(COCc2ccccc2)C1
InChIInChI=1S/C12H16O2/c13-12-6-11(7-12)9-14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyKVQOEODTOJCIPA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.97
Rot. Bonds4

About 3-(phenylmethoxymethyl)cyclobutan-1-ol

3-(phenylmethoxymethyl)cyclobutan-1-ol (PubChem CID 10442570) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)cyclobutan-1-ol
PubChem CID10442570
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-(phenylmethoxymethyl)cyclobutan-1-ol
SMILESOC1CC(COCc2ccccc2)C1
InChIInChI=1S/C12H16O2/c13-12-6-11(7-12)9-14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyKVQOEODTOJCIPA-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)cyclobutan-1-ol?
The IUPAC name of 3-(phenylmethoxymethyl)cyclobutan-1-ol (CID 10442570) is 3-(phenylmethoxymethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(phenylmethoxymethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(phenylmethoxymethyl)cyclobutan-1-ol is OC1CC(COCc2ccccc2)C1.
What is the InChIKey of 3-(phenylmethoxymethyl)cyclobutan-1-ol?
The InChIKey is KVQOEODTOJCIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-12-6-11(7-12)9-14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2.
What are the key properties of 3-(phenylmethoxymethyl)cyclobutan-1-ol?
3-(phenylmethoxymethyl)cyclobutan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)cyclobutan-1-ol is sourced from PubChem (CID 10442570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).