(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol

C17H18O3 — CID 104949924

IUPAC(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccccc1C1C[C@H](O)c2ccccc2O1
InChIInChI=1S/C17H18O3/c1-2-19-15-9-5-4-8-13(15)17-11-14(18)12-7-3-6-10-16(12)20-17/h3-10,14,17-18H,2,11H2,1H3/t14-,17?/m0/s1
InChIKeyXUFLYOGBTOWKPI-MBIQTGHCSA-N
MW270.33 g/mol
LogP3.64
Rot. Bonds3

About (4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949924) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949924
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccccc1C1C[C@H](O)c2ccccc2O1
InChIInChI=1S/C17H18O3/c1-2-19-15-9-5-4-8-13(15)17-11-14(18)12-7-3-6-10-16(12)20-17/h3-10,14,17-18H,2,11H2,1H3/t14-,17?/m0/s1
InChIKeyXUFLYOGBTOWKPI-MBIQTGHCSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104949924) is (4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is CCOc1ccccc1C1C[C@H](O)c2ccccc2O1.
What is the InChIKey of (4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XUFLYOGBTOWKPI-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-19-15-9-5-4-8-13(15)17-11-14(18)12-7-3-6-10-16(12)20-17/h3-10,14,17-18H,2,11H2,1H3/t14-,17?/m0/s1.
What are the key properties of (4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 270.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).