(1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol

C20H16O4 — CID 139589429

IUPAC(1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol
SMILESCOc1cccc2c1[C@H]1Oc3ccc4cc(C)cc(O)c4c3[C@@H]2O1
InChIInChI=1S/C20H16O4/c1-10-8-11-6-7-15-18(16(11)13(21)9-10)19-12-4-3-5-14(22-2)17(12)20(23-15)24-19/h3-9,19-21H,1-2H3/t19-,20+/m1/s1
InChIKeySKHJYEUBOHOWSK-UXHICEINSA-N
MW320.34 g/mol
LogP4.37
Rot. Bonds1

About (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol

(1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol (PubChem CID 139589429) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol.

Molecular Properties

Compound Name(1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol
PubChem CID139589429
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name(1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol
SMILESCOc1cccc2c1[C@H]1Oc3ccc4cc(C)cc(O)c4c3[C@@H]2O1
InChIInChI=1S/C20H16O4/c1-10-8-11-6-7-15-18(16(11)13(21)9-10)19-12-4-3-5-14(22-2)17(12)20(23-15)24-19/h3-9,19-21H,1-2H3/t19-,20+/m1/s1
InChIKeySKHJYEUBOHOWSK-UXHICEINSA-N
XLogP4.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol with MolForge

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Related Compounds

(1R,6S,13R)-6-hydroxy-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),9,14(19),15,17-hexaen-4-one
CID 163096187
7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol
CID 122396881
(1S,6S,13S)-15-hydroxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),9,14(19),15,17-hexaen-4-one
CID 139584166
dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate
CID 139628483
10,16-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15(20),16,18-nonaene-3,6-diol
CID 132777321
4-methoxy-2-methylphenanthrene
CID 11775729
4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol
CID 74818012
8-amino-3-methylnaphthalen-1-ol
CID 18710111
(3R)-3-(2,6-dihydroxyphenyl)-7-hydroxy-5-methyl-3H-2-benzofuran-1-one
CID 162869427
(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
CID 12996468
1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
CID 12651971
2-methoxy-6-(3-methyloxiran-2-yl)phenol
CID 130036138

Frequently Asked Questions

What is the IUPAC name of (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol?
The IUPAC name of (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol (CID 139589429) is (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol.
What is the SMILES notation for (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol?
The canonical SMILES for (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol is COc1cccc2c1[C@H]1Oc3ccc4cc(C)cc(O)c4c3[C@@H]2O1.
What is the InChIKey of (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol?
The InChIKey is SKHJYEUBOHOWSK-UXHICEINSA-N. The full InChI is InChI=1S/C20H16O4/c1-10-8-11-6-7-15-18(16(11)13(21)9-10)19-12-4-3-5-14(22-2)17(12)20(23-15)24-19/h3-9,19-21H,1-2H3/t19-,20+/m1/s1.
What are the key properties of (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol?
(1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol has a molecular weight of 320.34 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13R)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),4,6,9,14(19),15,17-octaen-4-ol is sourced from PubChem (CID 139589429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).