(1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene

C21H20O2 — CID 71571107

IUPAC(1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene
SMILESCOc1cc2c(cc1OC)[C@@H]1C[C@H]2C2C=C(c3ccccc3)C21
InChIInChI=1S/C21H20O2/c1-22-19-10-15-14-9-18(16(15)11-20(19)23-2)21-13(8-17(14)21)12-6-4-3-5-7-12/h3-8,10-11,14,17-18,21H,9H2,1-2H3/t14-,17?,18+,21?/m1/s1
InChIKeyACHXNMQIFVDIJM-KWGJUECJSA-N
MW304.39 g/mol
LogP4.62
Rot. Bonds3

About (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene

(1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene (PubChem CID 71571107) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene.

Molecular Properties

Compound Name(1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene
PubChem CID71571107
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name(1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene
SMILESCOc1cc2c(cc1OC)[C@@H]1C[C@H]2C2C=C(c3ccccc3)C21
InChIInChI=1S/C21H20O2/c1-22-19-10-15-14-9-18(16(15)11-20(19)23-2)21-13(8-17(14)21)12-6-4-3-5-7-12/h3-8,10-11,14,17-18,21H,9H2,1-2H3/t14-,17?,18+,21?/m1/s1
InChIKeyACHXNMQIFVDIJM-KWGJUECJSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene?
The IUPAC name of (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene (CID 71571107) is (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene.
What is the SMILES notation for (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene?
The canonical SMILES for (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene is COc1cc2c(cc1OC)[C@@H]1C[C@H]2C2C=C(c3ccccc3)C21.
What is the InChIKey of (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene?
The InChIKey is ACHXNMQIFVDIJM-KWGJUECJSA-N. The full InChI is InChI=1S/C21H20O2/c1-22-19-10-15-14-9-18(16(15)11-20(19)23-2)21-13(8-17(14)21)12-6-4-3-5-7-12/h3-8,10-11,14,17-18,21H,9H2,1-2H3/t14-,17?,18+,21?/m1/s1.
What are the key properties of (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene?
(1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene has a molecular weight of 304.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene is sourced from PubChem (CID 71571107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).