(2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol

C17H16O4 — CID 101248077

IUPAC(2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCc1cc2c(cc1O)[C@@H](C)[C@H](c1ccc3c(c1)OCO3)O2
InChIInChI=1S/C17H16O4/c1-9-5-15-12(7-13(9)18)10(2)17(21-15)11-3-4-14-16(6-11)20-8-19-14/h3-7,10,17-18H,8H2,1-2H3/t10-,17-/m1/s1
InChIKeyRMEHUUCJQBOMNU-BMLIUANNSA-N
MW284.31 g/mol
LogP3.67
Rot. Bonds1

About (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol

(2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 101248077) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name(2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID101248077
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCc1cc2c(cc1O)[C@@H](C)[C@H](c1ccc3c(c1)OCO3)O2
InChIInChI=1S/C17H16O4/c1-9-5-15-12(7-13(9)18)10(2)17(21-15)11-3-4-14-16(6-11)20-8-19-14/h3-7,10,17-18H,8H2,1-2H3/t10-,17-/m1/s1
InChIKeyRMEHUUCJQBOMNU-BMLIUANNSA-N
XLogP3.67
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol with MolForge

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Related Compounds

(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 10358378
4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102260959
4-[(2S,3S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 122389430
(2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-2H-furan-5-one
CID 723635
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
4-[(3R,3aS,6R,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
CID 70695728
6-[(3aR,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-ol
CID 68666147
(1R,3aR,4S,6aS)-1,4-bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 92542340
5-[(2R,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2,3-dimethoxyphenol
CID 118711164
5-[(3S,3aR,6R,6aR)-6-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
CID 101389128
5-[(6R)-6-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
CID 163187665
4-(1,3-benzodioxol-5-yl)-6-hydroxy-7-methoxy-2,3-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 102066418

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol (CID 101248077) is (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol is Cc1cc2c(cc1O)[C@@H](C)[C@H](c1ccc3c(c1)OCO3)O2.
What is the InChIKey of (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is RMEHUUCJQBOMNU-BMLIUANNSA-N. The full InChI is InChI=1S/C17H16O4/c1-9-5-15-12(7-13(9)18)10(2)17(21-15)11-3-4-14-16(6-11)20-8-19-14/h3-7,10,17-18H,8H2,1-2H3/t10-,17-/m1/s1.
What are the key properties of (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
(2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 284.31 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 101248077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).