(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol

C12H10O2 — CID 129404909

IUPAC(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol
SMILESO[C@H]1OCc2cccc3cccc1c23
InChIInChI=1S/C12H10O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6,12-13H,7H2/t12-/m0/s1
InChIKeyWLRVFZQIZLFUJG-LBPRGKRZSA-N
MW186.21 g/mol
LogP2.36
Rot. Bonds

About (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol

(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol (PubChem CID 129404909) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol.

Molecular Properties

Compound Name(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol
PubChem CID129404909
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol
SMILESO[C@H]1OCc2cccc3cccc1c23
InChIInChI=1S/C12H10O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6,12-13H,7H2/t12-/m0/s1
InChIKeyWLRVFZQIZLFUJG-LBPRGKRZSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol with MolForge

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Related Compounds

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CID 130127539
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CID 86339091
(1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
CID 86339090
2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol
CID 174333366
(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene
CID 129383948
(4R)-4-hydroxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one
CID 92860879
11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene;pyrene
CID 87844442
(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride
CID 67331166
[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate
CID 7018923
[(1R)-1,2-dihydroacenaphthylen-1-yl]methanamine
CID 92976167
11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene
CID 57063162
1,2-dihydroacenaphthylene
CID 161018660

Frequently Asked Questions

What is the IUPAC name of (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol?
The IUPAC name of (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol (CID 129404909) is (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol.
What is the SMILES notation for (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol?
The canonical SMILES for (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol is O[C@H]1OCc2cccc3cccc1c23.
What is the InChIKey of (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol?
The InChIKey is WLRVFZQIZLFUJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H10O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6,12-13H,7H2/t12-/m0/s1.
What are the key properties of (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol?
(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol has a molecular weight of 186.21 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol is sourced from PubChem (CID 129404909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).