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

C17H18O4 — CID 5314855

IUPAC(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1ccc([C@H]2Oc3cc(OC)c(O)cc3[C@@H]2C)cc1
InChIInChI=1S/C17H18O4/c1-10-13-8-14(18)16(20-3)9-15(13)21-17(10)11-4-6-12(19-2)7-5-11/h4-10,17-18H,1-3H3/t10-,17-/m0/s1
InChIKeyGNKJCSKSYGABME-BTDLBPIBSA-N
MW286.33 g/mol
LogP3.65
Rot. Bonds3

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

(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 5314855) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID5314855
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1ccc([C@H]2Oc3cc(OC)c(O)cc3[C@@H]2C)cc1
InChIInChI=1S/C17H18O4/c1-10-13-8-14(18)16(20-3)9-15(13)21-17(10)11-4-6-12(19-2)7-5-11/h4-10,17-18H,1-3H3/t10-,17-/m0/s1
InChIKeyGNKJCSKSYGABME-BTDLBPIBSA-N
XLogP3.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
CID 163037517
2-methoxy-4-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162670180
(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314451
7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one
CID 135033304
(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 101248074
2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
CID 154345810
(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 14080194
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
CID 10544393
2-hydroxy-3,9-dimethoxy-6,11-bis(4-methoxyphenyl)-6,11-dihydrobenzo[c][1]benzoxepine-7,10-dione
CID 12541627
(2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol
CID 10670062
(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 11482661

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of (2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol (CID 5314855) is (2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for (2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for (2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol is COc1ccc([C@H]2Oc3cc(OC)c(O)cc3[C@@H]2C)cc1.
What is the InChIKey of (2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is GNKJCSKSYGABME-BTDLBPIBSA-N. The full InChI is InChI=1S/C17H18O4/c1-10-13-8-14(18)16(20-3)9-15(13)21-17(10)11-4-6-12(19-2)7-5-11/h4-10,17-18H,1-3H3/t10-,17-/m0/s1.
What are the key properties of (2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 286.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 5314855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).