(13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol

C24H28O3 — CID 163666858

IUPAC(13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol
SMILESCCCC12C3=CCC=C(O)[C@@H]1Oc1c(OC)ccc(c12)C=C3CCC1CC1
InChIInChI=1S/C24H28O3/c1-3-13-24-18-5-4-6-19(25)23(24)27-22-20(26-2)12-11-17(21(22)24)14-16(18)10-9-15-7-8-15/h5-6,11-12,14-15,23,25H,3-4,7-10,13H2,1-2H3/t23-,24?/m0/s1
InChIKeyIZFDFVHQBBWDOS-UXMRNZNESA-N
MW364.49 g/mol
LogP5.85
Rot. Bonds6

About (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol

(13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol (PubChem CID 163666858) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol.

Molecular Properties

Compound Name(13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol
PubChem CID163666858
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name(13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol
SMILESCCCC12C3=CCC=C(O)[C@@H]1Oc1c(OC)ccc(c12)C=C3CCC1CC1
InChIInChI=1S/C24H28O3/c1-3-13-24-18-5-4-6-19(25)23(24)27-22-20(26-2)12-11-17(21(22)24)14-16(18)10-9-15-7-8-15/h5-6,11-12,14-15,23,25H,3-4,7-10,13H2,1-2H3/t23-,24?/m0/s1
InChIKeyIZFDFVHQBBWDOS-UXMRNZNESA-N
XLogP5.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol with MolForge

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Related Compounds

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(4R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
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Frequently Asked Questions

What is the IUPAC name of (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol?
The IUPAC name of (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol (CID 163666858) is (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol.
What is the SMILES notation for (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol?
The canonical SMILES for (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol is CCCC12C3=CCC=C(O)[C@@H]1Oc1c(OC)ccc(c12)C=C3CCC1CC1.
What is the InChIKey of (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol?
The InChIKey is IZFDFVHQBBWDOS-UXMRNZNESA-N. The full InChI is InChI=1S/C24H28O3/c1-3-13-24-18-5-4-6-19(25)23(24)27-22-20(26-2)12-11-17(21(22)24)14-16(18)10-9-15-7-8-15/h5-6,11-12,14-15,23,25H,3-4,7-10,13H2,1-2H3/t23-,24?/m0/s1.
What are the key properties of (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol?
(13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol has a molecular weight of 364.49 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-7-(2-cyclopropylethyl)-2-methoxy-14-propyl-16-oxatetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,11-hexaen-12-ol is sourced from PubChem (CID 163666858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).