(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate

C10H8O4 — CID 70447010

IUPAC(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate
SMILESCOC(=O)OC1=Cc2ccc(O)cc21
InChIInChI=1S/C10H8O4/c1-13-10(12)14-9-4-6-2-3-7(11)5-8(6)9/h2-5,11H,1H3
InChIKeyDVHBRHCSYKOCPL-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.99
Rot. Bonds1

About (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate

(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate (PubChem CID 70447010) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate.

Molecular Properties

Compound Name(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate
PubChem CID70447010
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate
SMILESCOC(=O)OC1=Cc2ccc(O)cc21
InChIInChI=1S/C10H8O4/c1-13-10(12)14-9-4-6-2-3-7(11)5-8(6)9/h2-5,11H,1H3
InChIKeyDVHBRHCSYKOCPL-UHFFFAOYSA-N
XLogP1.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate?
The IUPAC name of (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate (CID 70447010) is (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate.
What is the SMILES notation for (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate?
The canonical SMILES for (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate is COC(=O)OC1=Cc2ccc(O)cc21.
What is the InChIKey of (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate?
The InChIKey is DVHBRHCSYKOCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-13-10(12)14-9-4-6-2-3-7(11)5-8(6)9/h2-5,11H,1H3.
What are the key properties of (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate?
(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate has a molecular weight of 192.17 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate is sourced from PubChem (CID 70447010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).