(12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene

C16H18O3 — CID 134526022

IUPAC(12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene
SMILESCOC1=CCC2CCc3ccc(OC)c4c3C2[C@@H]1O4
InChIInChI=1S/C16H18O3/c1-17-11-7-5-9-3-4-10-6-8-12(18-2)16-14(10)13(9)15(11)19-16/h5,7-8,10,14,16H,3-4,6H2,1-2H3/t10?,14?,16-/m1/s1
InChIKeyTZDGYJIPNKMXLK-DARSQCIJSA-N
MW258.32 g/mol
LogP3.04
Rot. Bonds2

About (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene

(12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene (PubChem CID 134526022) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene.

Molecular Properties

Compound Name(12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene
PubChem CID134526022
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene
SMILESCOC1=CCC2CCc3ccc(OC)c4c3C2[C@@H]1O4
InChIInChI=1S/C16H18O3/c1-17-11-7-5-9-3-4-10-6-8-12(18-2)16-14(10)13(9)15(11)19-16/h5,7-8,10,14,16H,3-4,6H2,1-2H3/t10?,14?,16-/m1/s1
InChIKeyTZDGYJIPNKMXLK-DARSQCIJSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene?
The IUPAC name of (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene (CID 134526022) is (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene.
What is the SMILES notation for (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene?
The canonical SMILES for (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene is COC1=CCC2CCc3ccc(OC)c4c3C2[C@@H]1O4.
What is the InChIKey of (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene?
The InChIKey is TZDGYJIPNKMXLK-DARSQCIJSA-N. The full InChI is InChI=1S/C16H18O3/c1-17-11-7-5-9-3-4-10-6-8-12(18-2)16-14(10)13(9)15(11)19-16/h5,7-8,10,14,16H,3-4,6H2,1-2H3/t10?,14?,16-/m1/s1.
What are the key properties of (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene?
(12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene has a molecular weight of 258.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene is sourced from PubChem (CID 134526022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).