(3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran

C21H26O — CID 141105036

IUPAC(3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran
SMILESCCc1c(C)cc(C)c2c1OC[C@@H]2c1ccc(C(C)C)cc1
InChIInChI=1S/C21H26O/c1-6-18-14(4)11-15(5)20-19(12-22-21(18)20)17-9-7-16(8-10-17)13(2)3/h7-11,13,19H,6,12H2,1-5H3/t19-/m1/s1
InChIKeyURPLMUVCIMRNIR-LJQANCHMSA-N
MW294.44 g/mol
LogP5.51
Rot. Bonds3

About (3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran

(3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran (PubChem CID 141105036) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is (3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran
PubChem CID141105036
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name(3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran
SMILESCCc1c(C)cc(C)c2c1OC[C@@H]2c1ccc(C(C)C)cc1
InChIInChI=1S/C21H26O/c1-6-18-14(4)11-15(5)20-19(12-22-21(18)20)17-9-7-16(8-10-17)13(2)3/h7-11,13,19H,6,12H2,1-5H3/t19-/m1/s1
InChIKeyURPLMUVCIMRNIR-LJQANCHMSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran 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)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of (3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran (CID 141105036) is (3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for (3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran is CCc1c(C)cc(C)c2c1OC[C@@H]2c1ccc(C(C)C)cc1.
What is the InChIKey of (3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is URPLMUVCIMRNIR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26O/c1-6-18-14(4)11-15(5)20-19(12-22-21(18)20)17-9-7-16(8-10-17)13(2)3/h7-11,13,19H,6,12H2,1-5H3/t19-/m1/s1.
What are the key properties of (3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran?
(3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 294.44 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-ethyl-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 141105036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).