(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol

C18H20O5 — CID 10358378

IUPAC(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1cc2c(cc1O)[C@H](C)[C@@H](c1ccc(OC)c(OC)c1)O2
InChIInChI=1S/C18H20O5/c1-10-12-8-13(19)16(21-3)9-15(12)23-18(10)11-5-6-14(20-2)17(7-11)22-4/h5-10,18-19H,1-4H3/t10-,18-/m0/s1
InChIKeyYELZOBATXOVYIK-YPMLDQLKSA-N
MW316.35 g/mol
LogP3.66
Rot. Bonds4

About (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol

(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 10358378) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID10358378
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1cc2c(cc1O)[C@H](C)[C@@H](c1ccc(OC)c(OC)c1)O2
InChIInChI=1S/C18H20O5/c1-10-12-8-13(19)16(21-3)9-15(12)23-18(10)11-5-6-14(20-2)17(7-11)22-4/h5-10,18-19H,1-4H3/t10-,18-/m0/s1
InChIKeyYELZOBATXOVYIK-YPMLDQLKSA-N
XLogP3.66
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
2-methoxy-4-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162670180
(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
CID 163037517
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
CID 10544393
2-(3,4-dimethoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
CID 102353918
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102353917
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-(methoxymethoxy)-3-methyl-5-phenylsulfanyl-2,3-dihydro-1-benzofuran
CID 11316572
(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 101248074
1-[(2S,3S)-2-(3,4-dimethoxyphenyl)-6-(methoxymethoxy)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propyl acetate
CID 102239567
(2S,3S,4S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,4-diol
CID 14991958
(2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid;hydrate
CID 70553353
(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 162955070

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol (CID 10358378) is (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol is COc1cc2c(cc1O)[C@H](C)[C@@H](c1ccc(OC)c(OC)c1)O2.
What is the InChIKey of (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is YELZOBATXOVYIK-YPMLDQLKSA-N. The full InChI is InChI=1S/C18H20O5/c1-10-12-8-13(19)16(21-3)9-15(12)23-18(10)11-5-6-14(20-2)17(7-11)22-4/h5-10,18-19H,1-4H3/t10-,18-/m0/s1.
What are the key properties of (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 316.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 10358378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).