(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol

C19H22O5 — CID 10544393

IUPAC(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1ccc([C@H]2Oc3c(cc(O)c(OC)c3C)[C@@H]2C)cc1OC
InChIInChI=1S/C19H22O5/c1-10-13-9-14(20)19(23-5)11(2)18(13)24-17(10)12-6-7-15(21-3)16(8-12)22-4/h6-10,17,20H,1-5H3/t10-,17-/m0/s1
InChIKeyMVMPXFIUJRKPNQ-BTDLBPIBSA-N
MW330.38 g/mol
LogP3.96
Rot. Bonds4

About (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol

(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 10544393) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID10544393
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1ccc([C@H]2Oc3c(cc(O)c(OC)c3C)[C@@H]2C)cc1OC
InChIInChI=1S/C19H22O5/c1-10-13-9-14(20)19(23-5)11(2)18(13)24-17(10)12-6-7-15(21-3)16(8-12)22-4/h6-10,17,20H,1-5H3/t10-,17-/m0/s1
InChIKeyMVMPXFIUJRKPNQ-BTDLBPIBSA-N
XLogP3.96
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol (CID 10544393) is (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol is COc1ccc([C@H]2Oc3c(cc(O)c(OC)c3C)[C@@H]2C)cc1OC.
What is the InChIKey of (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is MVMPXFIUJRKPNQ-BTDLBPIBSA-N. The full InChI is InChI=1S/C19H22O5/c1-10-13-9-14(20)19(23-5)11(2)18(13)24-17(10)12-6-7-15(21-3)16(8-12)22-4/h6-10,17,20H,1-5H3/t10-,17-/m0/s1.
What are the key properties of (2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 330.38 g/mol, XLogP of 3.96, 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-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 10544393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).