2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol

C21H24O3 — CID 154928785

IUPAC2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol
SMILESC=C1C(O)C(COCc2ccccc2)C1COCc1ccccc1
InChIInChI=1S/C21H24O3/c1-16-19(14-23-12-17-8-4-2-5-9-17)20(21(16)22)15-24-13-18-10-6-3-7-11-18/h2-11,19-22H,1,12-15H2
InChIKeyQYQINVZOZVHMLH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.58
Rot. Bonds8

About 2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol

2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol (PubChem CID 154928785) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol
PubChem CID154928785
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol
SMILESC=C1C(O)C(COCc2ccccc2)C1COCc1ccccc1
InChIInChI=1S/C21H24O3/c1-16-19(14-23-12-17-8-4-2-5-9-17)20(21(16)22)15-24-13-18-10-6-3-7-11-18/h2-11,19-22H,1,12-15H2
InChIKeyQYQINVZOZVHMLH-UHFFFAOYSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,3S,4R,5S)-3-bromo-5-(phenylmethoxymethyl)cyclopentane-1,2,4-triol
CID 102123627
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
CID 10994244
(1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol
CID 58451425
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 134971332
ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane
CID 142844088
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
(3aR,6aS)-5-hydroxy-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 22828466
CID 66734377
CID 66734377

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol?
The IUPAC name of 2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol (CID 154928785) is 2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol.
What is the SMILES notation for 2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol?
The canonical SMILES for 2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol is C=C1C(O)C(COCc2ccccc2)C1COCc1ccccc1.
What is the InChIKey of 2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol?
The InChIKey is QYQINVZOZVHMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-16-19(14-23-12-17-8-4-2-5-9-17)20(21(16)22)15-24-13-18-10-6-3-7-11-18/h2-11,19-22H,1,12-15H2.
What are the key properties of 2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol?
2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol has a molecular weight of 324.42 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol is sourced from PubChem (CID 154928785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).