(2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran

C22H26O5 — CID 163030195

IUPAC(2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran
SMILESCC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@H](OCc1ccc(OC)c(OC)c1)O2
InChIInChI=1S/C22H26O5/c1-6-7-15-10-17-14(2)22(27-21(17)20(11-15)25-5)26-13-16-8-9-18(23-3)19(12-16)24-4/h6-12,14,22H,13H2,1-5H3/t14-,22-/m1/s1
InChIKeyBZNBZVBEJHYNGR-JLCFBVMHSA-N
MW370.45 g/mol
LogP4.78
Rot. Bonds7

About (2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran

(2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran (PubChem CID 163030195) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran
PubChem CID163030195
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name(2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran
SMILESCC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@H](OCc1ccc(OC)c(OC)c1)O2
InChIInChI=1S/C22H26O5/c1-6-7-15-10-17-14(2)22(27-21(17)20(11-15)25-5)26-13-16-8-9-18(23-3)19(12-16)24-4/h6-12,14,22H,13H2,1-5H3/t14-,22-/m1/s1
InChIKeyBZNBZVBEJHYNGR-JLCFBVMHSA-N
XLogP4.78
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
CID 71763018
(2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
CID 101226782
4-(7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)benzene-1,2-diol
CID 75078955
4-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
CID 154497864
2-methoxy-4-[(2S,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 51136353
2-methoxy-4-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 5281836
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
(2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 10520316
2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 5318746
2-(3,4-dimethoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
CID 102353918
(4-hydroxy-3-methoxyphenyl)-[2-methoxy-4-(7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenyl]methanone
CID 67537969
4-[(2R,3S)-3-(hydroxymethyl)-7-methoxy-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenol
CID 162899313

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran (CID 163030195) is (2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran is CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@H](OCc1ccc(OC)c(OC)c1)O2.
What is the InChIKey of (2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran?
The InChIKey is BZNBZVBEJHYNGR-JLCFBVMHSA-N. The full InChI is InChI=1S/C22H26O5/c1-6-7-15-10-17-14(2)22(27-21(17)20(11-15)25-5)26-13-16-8-9-18(23-3)19(12-16)24-4/h6-12,14,22H,13H2,1-5H3/t14-,22-/m1/s1.
What are the key properties of (2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran?
(2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran has a molecular weight of 370.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 163030195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).