(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol

C16H16O4 — CID 11482661

IUPAC(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1ccc([C@H]2Oc3ccc(O)cc3[C@@H]2CO)cc1
InChIInChI=1S/C16H16O4/c1-19-12-5-2-10(3-6-12)16-14(9-17)13-8-11(18)4-7-15(13)20-16/h2-8,14,16-18H,9H2,1H3/t14-,16+/m0/s1
InChIKeyAFGRMHYXDZUVIA-GOEBONIOSA-N
MW272.30 g/mol
LogP2.61
Rot. Bonds3

About (2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol

(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 11482661) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
PubChem CID11482661
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1ccc([C@H]2Oc3ccc(O)cc3[C@@H]2CO)cc1
InChIInChI=1S/C16H16O4/c1-19-12-5-2-10(3-6-12)16-14(9-17)13-8-11(18)4-7-15(13)20-16/h2-8,14,16-18H,9H2,1H3/t14-,16+/m0/s1
InChIKeyAFGRMHYXDZUVIA-GOEBONIOSA-N
XLogP2.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 101241547
2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
CID 154345810
4-[(2S,3R)-3-(hydroxymethyl)-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162896019
4-[(2S,3R)-5-bromo-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
CID 162673565
3-[(2S,3R)-3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
CID 163032580
5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran
CID 132967211
4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
CID 44715489
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
4-[3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxybenzaldehyde
CID 89014648
4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol
CID 166448551
4-[6-[3-(hydroxymethyl)-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenol
CID 56674691
(3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 10270771

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of (2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol (CID 11482661) is (2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for (2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for (2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol is COc1ccc([C@H]2Oc3ccc(O)cc3[C@@H]2CO)cc1.
What is the InChIKey of (2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is AFGRMHYXDZUVIA-GOEBONIOSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-12-5-2-10(3-6-12)16-14(9-17)13-8-11(18)4-7-15(13)20-16/h2-8,14,16-18H,9H2,1H3/t14-,16+/m0/s1.
What are the key properties of (2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 272.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 11482661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).