(2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran

C16H16O2 — CID 154707243

IUPAC(2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc([C@H]2Oc3ccccc3[C@@H]2C)cc1
InChIInChI=1S/C16H16O2/c1-11-14-5-3-4-6-15(14)18-16(11)12-7-9-13(17-2)10-8-12/h3-11,16H,1-2H3/t11-,16-/m0/s1
InChIKeyFOULYACONOMCOW-ZBEGNZNMSA-N
MW240.30 g/mol
LogP3.93
Rot. Bonds2

About (2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran

(2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran (PubChem CID 154707243) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran
PubChem CID154707243
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc([C@H]2Oc3ccccc3[C@@H]2C)cc1
InChIInChI=1S/C16H16O2/c1-11-14-5-3-4-6-15(14)18-16(11)12-7-9-13(17-2)10-8-12/h3-11,16H,1-2H3/t11-,16-/m0/s1
InChIKeyFOULYACONOMCOW-ZBEGNZNMSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-2-(4-methoxyphenyl)-3-methyl-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 (2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran (CID 154707243) is (2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran is COc1ccc([C@H]2Oc3ccccc3[C@@H]2C)cc1.
What is the InChIKey of (2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is FOULYACONOMCOW-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-14-5-3-4-6-15(14)18-16(11)12-7-9-13(17-2)10-8-12/h3-11,16H,1-2H3/t11-,16-/m0/s1.
What are the key properties of (2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran?
(2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 240.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 154707243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).