3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol

C22H24O3 — CID 102184317

IUPAC3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol
SMILESC=C=C(OCc1ccccc1)C1(O)CC(COCc2ccccc2)C1
InChIInChI=1S/C22H24O3/c1-2-21(25-17-19-11-7-4-8-12-19)22(23)13-20(14-22)16-24-15-18-9-5-3-6-10-18/h3-12,20,23H,1,13-17H2
InChIKeyDRQOMQIRALGAFZ-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.23
Rot. Bonds8

About 3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol

3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol (PubChem CID 102184317) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol
PubChem CID102184317
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol
SMILESC=C=C(OCc1ccccc1)C1(O)CC(COCc2ccccc2)C1
InChIInChI=1S/C22H24O3/c1-2-21(25-17-19-11-7-4-8-12-19)22(23)13-20(14-22)16-24-15-18-9-5-3-6-10-18/h3-12,20,23H,1,13-17H2
InChIKeyDRQOMQIRALGAFZ-UHFFFAOYSA-N
XLogP4.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 100982245
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CID 57481680
1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
CID 58601842
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
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CID 105457555
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine
CID 166118396
trans-(2S,4S)-2-ethenyl-2-phenylmethoxy-4-(phenylmethoxymethyl)cyclopentan-1-one
CID 102184319
3-chloro-3-methyl-6-(phenylmethoxymethyl)spiro[3.3]heptan-2-one
CID 143443709
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CID 155893606

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol?
The IUPAC name of 3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol (CID 102184317) is 3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol?
The canonical SMILES for 3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol is C=C=C(OCc1ccccc1)C1(O)CC(COCc2ccccc2)C1.
What is the InChIKey of 3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol?
The InChIKey is DRQOMQIRALGAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-2-21(25-17-19-11-7-4-8-12-19)22(23)13-20(14-22)16-24-15-18-9-5-3-6-10-18/h3-12,20,23H,1,13-17H2.
What are the key properties of 3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol?
3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol has a molecular weight of 336.43 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)-1-(1-phenylmethoxypropa-1,2-dienyl)cyclobutan-1-ol is sourced from PubChem (CID 102184317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).