[3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol

C13H16O3 — CID 102520216

IUPAC[3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol
SMILESCOc1ccc(OC)c(C2=CC(CO)C2)c1
InChIInChI=1S/C13H16O3/c1-15-11-3-4-13(16-2)12(7-11)10-5-9(6-10)8-14/h3-5,7,9,14H,6,8H2,1-2H3
InChIKeyUWPZGOXXOCDGGR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.10
Rot. Bonds4

About [3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol

[3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol (PubChem CID 102520216) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol.

Molecular Properties

Compound Name[3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol
PubChem CID102520216
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol
SMILESCOc1ccc(OC)c(C2=CC(CO)C2)c1
InChIInChI=1S/C13H16O3/c1-15-11-3-4-13(16-2)12(7-11)10-5-9(6-10)8-14/h3-5,7,9,14H,6,8H2,1-2H3
InChIKeyUWPZGOXXOCDGGR-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol?
The IUPAC name of [3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol (CID 102520216) is [3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol.
What is the SMILES notation for [3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol?
The canonical SMILES for [3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol is COc1ccc(OC)c(C2=CC(CO)C2)c1.
What is the InChIKey of [3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol?
The InChIKey is UWPZGOXXOCDGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-11-3-4-13(16-2)12(7-11)10-5-9(6-10)8-14/h3-5,7,9,14H,6,8H2,1-2H3.
What are the key properties of [3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol?
[3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol has a molecular weight of 220.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol is sourced from PubChem (CID 102520216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).