(3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol

C11H12O2 — CID 11148036

IUPAC(3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol
SMILESO[C@]12COc3ccccc3C[C@H]1C2
InChIInChI=1S/C11H12O2/c12-11-6-9(11)5-8-3-1-2-4-10(8)13-7-11/h1-4,9,12H,5-7H2/t9-,11+/m0/s1
InChIKeyVYCGCRPWKXOJMO-GXSJLCMTSA-N
MW176.22 g/mol
LogP1.37
Rot. Bonds

About (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol

(3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol (PubChem CID 11148036) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol.

Molecular Properties

Compound Name(3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol
PubChem CID11148036
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol
SMILESO[C@]12COc3ccccc3C[C@H]1C2
InChIInChI=1S/C11H12O2/c12-11-6-9(11)5-8-3-1-2-4-10(8)13-7-11/h1-4,9,12H,5-7H2/t9-,11+/m0/s1
InChIKeyVYCGCRPWKXOJMO-GXSJLCMTSA-N
XLogP1.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol with MolForge

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Related Compounds

7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol
CID 85416076
1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol
CID 11789506
(6aR,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromen-6a-ol
CID 166953593
(3S)-3-methyl-2,4-dihydrochromen-3-ol
CID 163222084
3-methyl-2,4-dihydrochromen-3-ol
CID 71345229
3-prop-1-ynyl-2,4-dihydrochromen-3-ol
CID 130605047
2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]
CID 130840671
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde
CID 130632278
[(3R)-3-methyl-2,4-dihydrochromen-3-yl]methanol
CID 132962049
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol?
The IUPAC name of (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol (CID 11148036) is (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol.
What is the SMILES notation for (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol?
The canonical SMILES for (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol is O[C@]12COc3ccccc3C[C@H]1C2.
What is the InChIKey of (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol?
The InChIKey is VYCGCRPWKXOJMO-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H12O2/c12-11-6-9(11)5-8-3-1-2-4-10(8)13-7-11/h1-4,9,12H,5-7H2/t9-,11+/m0/s1.
What are the key properties of (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol?
(3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol has a molecular weight of 176.22 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol is sourced from PubChem (CID 11148036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).