3-phenylmethoxycyclobutane-1,1-diol

C11H14O3 — CID 170382479

IUPAC3-phenylmethoxycyclobutane-1,1-diol
SMILESOC1(O)CC(OCc2ccccc2)C1
InChIInChI=1S/C11H14O3/c12-11(13)6-10(7-11)14-8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2
InChIKeyOOXSOOFYJSXJBZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.05
Rot. Bonds3

About 3-phenylmethoxycyclobutane-1,1-diol

3-phenylmethoxycyclobutane-1,1-diol (PubChem CID 170382479) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-phenylmethoxycyclobutane-1,1-diol.

Molecular Properties

Compound Name3-phenylmethoxycyclobutane-1,1-diol
PubChem CID170382479
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-phenylmethoxycyclobutane-1,1-diol
SMILESOC1(O)CC(OCc2ccccc2)C1
InChIInChI=1S/C11H14O3/c12-11(13)6-10(7-11)14-8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2
InChIKeyOOXSOOFYJSXJBZ-UHFFFAOYSA-N
XLogP1.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 149153047
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 163720538
cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
CID 10706618
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
azane;cyclopentyloxymethylbenzene
CID 69411306
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxycyclobutane-1,1-diol?
The IUPAC name of 3-phenylmethoxycyclobutane-1,1-diol (CID 170382479) is 3-phenylmethoxycyclobutane-1,1-diol.
What is the SMILES notation for 3-phenylmethoxycyclobutane-1,1-diol?
The canonical SMILES for 3-phenylmethoxycyclobutane-1,1-diol is OC1(O)CC(OCc2ccccc2)C1.
What is the InChIKey of 3-phenylmethoxycyclobutane-1,1-diol?
The InChIKey is OOXSOOFYJSXJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-11(13)6-10(7-11)14-8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2.
What are the key properties of 3-phenylmethoxycyclobutane-1,1-diol?
3-phenylmethoxycyclobutane-1,1-diol has a molecular weight of 194.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxycyclobutane-1,1-diol is sourced from PubChem (CID 170382479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).