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

C19H22O6 — CID 163037517

IUPAC(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1cc2c(cc1O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C
InChIInChI=1S/C19H22O6/c1-10-12-8-15(21-2)13(20)9-14(12)25-18(10)11-6-16(22-3)19(24-5)17(7-11)23-4/h6-10,18,20H,1-5H3/t10-,18+/m0/s1
InChIKeyCXZSMUPWCVAGRO-XTZNXHDOSA-N
MW346.38 g/mol
LogP3.66
Rot. Bonds5

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

(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 163037517) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID163037517
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1cc2c(cc1O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C
InChIInChI=1S/C19H22O6/c1-10-12-8-15(21-2)13(20)9-14(12)25-18(10)11-6-16(22-3)19(24-5)17(7-11)23-4/h6-10,18,20H,1-5H3/t10-,18+/m0/s1
InChIKeyCXZSMUPWCVAGRO-XTZNXHDOSA-N
XLogP3.66
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 101248074
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 10358378
(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
2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 10043816
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
CID 10544393
(6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 53359709
3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 91220103
4-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
CID 14134109
7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol
CID 144899639
2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162462128
(2R,3S)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034967

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of (2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol (CID 163037517) is (2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for (2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for (2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol is COc1cc2c(cc1O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C.
What is the InChIKey of (2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is CXZSMUPWCVAGRO-XTZNXHDOSA-N. The full InChI is InChI=1S/C19H22O6/c1-10-12-8-15(21-2)13(20)9-14(12)25-18(10)11-6-16(22-3)19(24-5)17(7-11)23-4/h6-10,18,20H,1-5H3/t10-,18+/m0/s1.
What are the key properties of (2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol?
(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 346.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 163037517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).