(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol

C19H22O5 — CID 24754568

IUPAC(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol
SMILESCOc1ccc2c(c1)[C@H](O)CCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C19H22O5/c1-21-12-6-7-13-14(10-12)15(20)8-5-11-9-16(22-2)18(23-3)19(24-4)17(11)13/h6-7,9-10,15,20H,5,8H2,1-4H3/t15-/m1/s1
InChIKeyRGYQDTQGGQYZJW-OAHLLOKOSA-N
MW330.38 g/mol
LogP3.37
Rot. Bonds4

About (8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol

(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol (PubChem CID 24754568) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol.

Molecular Properties

Compound Name(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol
PubChem CID24754568
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol
SMILESCOc1ccc2c(c1)[C@H](O)CCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C19H22O5/c1-21-12-6-7-13-14(10-12)15(20)8-5-11-9-16(22-2)18(23-3)19(24-4)17(11)13/h6-7,9-10,15,20H,5,8H2,1-4H3/t15-/m1/s1
InChIKeyRGYQDTQGGQYZJW-OAHLLOKOSA-N
XLogP3.37
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine
CID 632120
7-hydroxy-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 633058
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
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424
1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepine-7-carbaldehyde
CID 46838923
7-(dimethylamino)-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 632895
[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] dihydrogen phosphate;phenol
CID 131738669
(7R)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 638269
(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamic acid
CID 123749688
N-methyl-N-(1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)formamide
CID 5203914
2-[(8S)-5-chloro-13,14,15-trimethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]acetamide
CID 139929146
N-[(8S)-13,14,15-trimethoxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]acetamide
CID 58658590

Frequently Asked Questions

What is the IUPAC name of (8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol?
The IUPAC name of (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) is (8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol.
What is the SMILES notation for (8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol?
The canonical SMILES for (8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol is COc1ccc2c(c1)[C@H](O)CCc1cc(OC)c(OC)c(OC)c1-2.
What is the InChIKey of (8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol?
The InChIKey is RGYQDTQGGQYZJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22O5/c1-21-12-6-7-13-14(10-12)15(20)8-5-11-9-16(22-2)18(23-3)19(24-4)17(11)13/h6-7,9-10,15,20H,5,8H2,1-4H3/t15-/m1/s1.
What are the key properties of (8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol?
(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol has a molecular weight of 330.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol is sourced from PubChem (CID 24754568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).