(2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran

C15H22O3 — CID 131847505

IUPAC(2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran
SMILESCCCCC[C@@H]1Cc2cc(OC)cc(OC)c2O1
InChIInChI=1S/C15H22O3/c1-4-5-6-7-12-8-11-9-13(16-2)10-14(17-3)15(11)18-12/h9-10,12H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyWDDPSSMGVDPXFH-GFCCVEGCSA-N
MW250.34 g/mol
LogP3.59
Rot. Bonds6

About (2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran

(2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran (PubChem CID 131847505) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran
PubChem CID131847505
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran
SMILESCCCCC[C@@H]1Cc2cc(OC)cc(OC)c2O1
InChIInChI=1S/C15H22O3/c1-4-5-6-7-12-8-11-9-13(16-2)10-14(17-3)15(11)18-12/h9-10,12H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyWDDPSSMGVDPXFH-GFCCVEGCSA-N
XLogP3.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-5,7-dimethoxy-2-pentyl-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

Related Compounds

6,8-dimethoxy-3-pentyl-3,4-dihydroisochromen-1-one
CID 71373264
(5,7-dimethoxy-2,3-dihydro-1-benzofuran-2-yl)methyl-trimethylsilane
CID 135013485
(3R)-6-methoxy-3-undecyl-3,4-dihydro-1H-isochromen-8-ol
CID 163072146
[7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 15941645
2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 68963646
3-decyl-5,7-dimethoxy-3H-2-benzofuran-1-one
CID 134864934
4-dodecyloxetan-2-one
CID 90110174
(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948552
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
6,8-dimethoxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22639006
2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 68964644
methyl 2-octyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 139693266

Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran (CID 131847505) is (2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran is CCCCC[C@@H]1Cc2cc(OC)cc(OC)c2O1.
What is the InChIKey of (2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran?
The InChIKey is WDDPSSMGVDPXFH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-5-6-7-12-8-11-9-13(16-2)10-14(17-3)15(11)18-12/h9-10,12H,4-8H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran?
(2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran has a molecular weight of 250.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 131847505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).