methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate

C20H22O6 — CID 25131122

IUPACmethyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1c(cc(OC)c(OC)c1OC)CC[C@H]2O
InChIInChI=1S/C20H22O6/c1-23-16-10-11-6-8-15(21)13-7-5-12(20(22)26-4)9-14(13)17(11)19(25-3)18(16)24-2/h5,7,9-10,15,21H,6,8H2,1-4H3/t15-/m1/s1
InChIKeyWPBLPDATOIGWOT-OAHLLOKOSA-N
MW358.39 g/mol
LogP3.15
Rot. Bonds4

About methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate

methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate (PubChem CID 25131122) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate.

Molecular Properties

Compound Namemethyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate
PubChem CID25131122
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Namemethyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1c(cc(OC)c(OC)c1OC)CC[C@H]2O
InChIInChI=1S/C20H22O6/c1-23-16-10-11-6-8-15(21)13-7-5-12(20(22)26-4)9-14(13)17(11)19(25-3)18(16)24-2/h5,7,9-10,15,21H,6,8H2,1-4H3/t15-/m1/s1
InChIKeyWPBLPDATOIGWOT-OAHLLOKOSA-N
XLogP3.15
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate with MolForge

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Related Compounds

(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol
CID 24754568
7-hydroxy-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 633058
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
methyl (8S)-8-[[2-[(E)-but-2-enoyl]oxyacetyl]amino]-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-5-carboxylate
CID 162654332
N-(6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)acetamide
CID 11188363
(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamic acid
CID 123749688
N-[(7S)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;hydrochloride
CID 52944177
7-hydroxy-2,3,4-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71271654
methyl 8-acetamido-13-amino-14,15-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-5-carboxylate
CID 541129
calcium;hydride;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 174772575
(7R)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 638269
2-fluoro-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
CID 3335422

Frequently Asked Questions

What is the IUPAC name of methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate?
The IUPAC name of methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate (CID 25131122) is methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate.
What is the SMILES notation for methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate?
The canonical SMILES for methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate is COC(=O)c1ccc2c(c1)-c1c(cc(OC)c(OC)c1OC)CC[C@H]2O.
What is the InChIKey of methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate?
The InChIKey is WPBLPDATOIGWOT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22O6/c1-23-16-10-11-6-8-15(21)13-7-5-12(20(22)26-4)9-14(13)17(11)19(25-3)18(16)24-2/h5,7,9-10,15,21H,6,8H2,1-4H3/t15-/m1/s1.
What are the key properties of methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate?
methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate is sourced from PubChem (CID 25131122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).