(2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol

C16H16O4 — CID 141421484

IUPAC(2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1ccc2c(c1)O[C@@H](c1cccc(O)c1)[C@@H](O)C2
InChIInChI=1S/C16H16O4/c1-19-13-6-5-10-8-14(18)16(20-15(10)9-13)11-3-2-4-12(17)7-11/h2-7,9,14,16-18H,8H2,1H3/t14-,16-/m0/s1
InChIKeyKWVFOOVHJFNPQS-HOCLYGCPSA-N
MW272.30 g/mol
LogP2.44
Rot. Bonds2

About (2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol

(2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol (PubChem CID 141421484) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol
PubChem CID141421484
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1ccc2c(c1)O[C@@H](c1cccc(O)c1)[C@@H](O)C2
InChIInChI=1S/C16H16O4/c1-19-13-6-5-10-8-14(18)16(20-15(10)9-13)11-3-2-4-12(17)7-11/h2-7,9,14,16-18H,8H2,1H3/t14-,16-/m0/s1
InChIKeyKWVFOOVHJFNPQS-HOCLYGCPSA-N
XLogP2.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol (CID 141421484) is (2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol is COc1ccc2c(c1)O[C@@H](c1cccc(O)c1)[C@@H](O)C2.
What is the InChIKey of (2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is KWVFOOVHJFNPQS-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-13-6-5-10-8-14(18)16(20-15(10)9-13)11-3-2-4-12(17)7-11/h2-7,9,14,16-18H,8H2,1H3/t14-,16-/m0/s1.
What are the key properties of (2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol?
(2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 272.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 141421484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).