(2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran

C19H20O2 — CID 10564716

IUPAC(2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
SMILESC/C=C/c1ccc2c(c1)[C@@H](C)[C@H](c1ccc(OC)cc1)O2
InChIInChI=1S/C19H20O2/c1-4-5-14-6-11-18-17(12-14)13(2)19(21-18)15-7-9-16(20-3)10-8-15/h4-13,19H,1-3H3/b5-4+/t13-,19-/m1/s1
InChIKeyVIIMZQYLSFKCBR-YPYBPIMSSA-N
MW280.37 g/mol
LogP4.97
Rot. Bonds3

About (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran

(2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran (PubChem CID 10564716) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
PubChem CID10564716
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
SMILESC/C=C/c1ccc2c(c1)[C@@H](C)[C@H](c1ccc(OC)cc1)O2
InChIInChI=1S/C19H20O2/c1-4-5-14-6-11-18-17(12-14)13(2)19(21-18)15-7-9-16(20-3)10-8-15/h4-13,19H,1-3H3/b5-4+/t13-,19-/m1/s1
InChIKeyVIIMZQYLSFKCBR-YPYBPIMSSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran with MolForge

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Related Compounds

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Phaseollidin
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Dehydrodiisoeugenol
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Licarin A
CID 5281836
Homopterocarpin
CID 101795
(6aR,11aR)-6a,11a-Dihydro-4,10-bis(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-c)(1)benzopyran-3,9-diol
CID 21141346
(2R,3S)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-((1E)-3-hydroxy-1-propen-1-yl)-7-methoxy-3-benzofuranmethanol
CID 11078843
(6aR,11aR)-6a,11a-Dihydro-10-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol; Phaseolidin
CID 5117820
(+)-Medicarpin
CID 73067
(7S,8R)-Dihydrodehydrodiconiferyl Alcohol
CID 384679

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran (CID 10564716) is (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran is C/C=C/c1ccc2c(c1)[C@@H](C)[C@H](c1ccc(OC)cc1)O2.
What is the InChIKey of (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran?
The InChIKey is VIIMZQYLSFKCBR-YPYBPIMSSA-N. The full InChI is InChI=1S/C19H20O2/c1-4-5-14-6-11-18-17(12-14)13(2)19(21-18)15-7-9-16(20-3)10-8-15/h4-13,19H,1-3H3/b5-4+/t13-,19-/m1/s1.
What are the key properties of (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran?
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran has a molecular weight of 280.37 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 10564716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).