(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol

C11H12O — CID 100988172

IUPAC(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
SMILESC=CC[C@@]1(O)Cc2ccccc21
InChIInChI=1S/C11H12O/c1-2-7-11(12)8-9-5-3-4-6-10(9)11/h2-6,12H,1,7-8H2/t11-/m1/s1
InChIKeyQSBJYJJSDBJLDC-LLVKDONJSA-N
MW160.22 g/mol
LogP2.01
Rot. Bonds2

About (7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol

(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol (PubChem CID 100988172) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol.

Molecular Properties

Compound Name(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
PubChem CID100988172
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
SMILESC=CC[C@@]1(O)Cc2ccccc21
InChIInChI=1S/C11H12O/c1-2-7-11(12)8-9-5-3-4-6-10(9)11/h2-6,12H,1,7-8H2/t11-/m1/s1
InChIKeyQSBJYJJSDBJLDC-LLVKDONJSA-N
XLogP2.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-1-prop-2-enyl-2H-inden-1-ol
CID 86041926
(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 100988945
7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 2753008
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol
CID 116531622
3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene
CID 173371645
4,4-bis(prop-2-enyl)-1H-naphthalene
CID 10353080
(7-hydroxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl benzoate
CID 102224500
(E)-3-(2-prop-2-enyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)prop-2-en-1-ol
CID 19079047
1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene
CID 173092791
1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol
CID 130032329
7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 10103432

Frequently Asked Questions

What is the IUPAC name of (7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol?
The IUPAC name of (7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol (CID 100988172) is (7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol.
What is the SMILES notation for (7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol?
The canonical SMILES for (7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol is C=CC[C@@]1(O)Cc2ccccc21.
What is the InChIKey of (7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol?
The InChIKey is QSBJYJJSDBJLDC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12O/c1-2-7-11(12)8-9-5-3-4-6-10(9)11/h2-6,12H,1,7-8H2/t11-/m1/s1.
What are the key properties of (7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol?
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol has a molecular weight of 160.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol is sourced from PubChem (CID 100988172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).