(3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol

C22H30O3 — CID 71209865

IUPAC(3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol
SMILESCCCC1C[C@@H](CC)CC2CC=C(O)C3Oc4c(OC)cccc4C213
InChIInChI=1S/C22H30O3/c1-4-7-15-12-14(5-2)13-16-10-11-18(23)21-22(15,16)17-8-6-9-19(24-3)20(17)25-21/h6,8-9,11,14-16,21,23H,4-5,7,10,12-13H2,1-3H3/t14-,15?,16?,21?,22?/m1/s1
InChIKeyUUTWFKRBPCVXEN-KKDGQCSWSA-N
MW342.48 g/mol
LogP5.39
Rot. Bonds4

About (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol

(3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol (PubChem CID 71209865) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol.

Molecular Properties

Compound Name(3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol
PubChem CID71209865
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name(3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol
SMILESCCCC1C[C@@H](CC)CC2CC=C(O)C3Oc4c(OC)cccc4C213
InChIInChI=1S/C22H30O3/c1-4-7-15-12-14(5-2)13-16-10-11-18(23)21-22(15,16)17-8-6-9-19(24-3)20(17)25-21/h6,8-9,11,14-16,21,23H,4-5,7,10,12-13H2,1-3H3/t14-,15?,16?,21?,22?/m1/s1
InChIKeyUUTWFKRBPCVXEN-KKDGQCSWSA-N
XLogP5.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol?
The IUPAC name of (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol (CID 71209865) is (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol.
What is the SMILES notation for (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol?
The canonical SMILES for (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol is CCCC1C[C@@H](CC)CC2CC=C(O)C3Oc4c(OC)cccc4C213.
What is the InChIKey of (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol?
The InChIKey is UUTWFKRBPCVXEN-KKDGQCSWSA-N. The full InChI is InChI=1S/C22H30O3/c1-4-7-15-12-14(5-2)13-16-10-11-18(23)21-22(15,16)17-8-6-9-19(24-3)20(17)25-21/h6,8-9,11,14-16,21,23H,4-5,7,10,12-13H2,1-3H3/t14-,15?,16?,21?,22?/m1/s1.
What are the key properties of (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol?
(3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol has a molecular weight of 342.48 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-9-methoxy-1-propyl-2,3,4,4a,5,7a-hexahydro-1H-naphtho[1,8a-b][1]benzofuran-7-ol is sourced from PubChem (CID 71209865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).