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

C17H18O4 — CID 104949983

IUPAC(4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1cc(C2C[C@H](O)c3ccccc3O2)ccc1O
InChIInChI=1S/C17H18O4/c1-2-20-17-9-11(7-8-13(17)18)16-10-14(19)12-5-3-4-6-15(12)21-16/h3-9,14,16,18-19H,2,10H2,1H3/t14-,16?/m0/s1
InChIKeyUFYHLLKSLSPOFD-LBAUFKAWSA-N
MW286.33 g/mol
LogP3.35
Rot. Bonds3

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

(4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949983) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949983
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1cc(C2C[C@H](O)c3ccccc3O2)ccc1O
InChIInChI=1S/C17H18O4/c1-2-20-17-9-11(7-8-13(17)18)16-10-14(19)12-5-3-4-6-15(12)21-16/h3-9,14,16,18-19H,2,10H2,1H3/t14-,16?/m0/s1
InChIKeyUFYHLLKSLSPOFD-LBAUFKAWSA-N
XLogP3.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145
(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949924
(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949995
(2S,4S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 11277233
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 72766058
(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949000
7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714756
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(4S)-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404380
2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715039
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104949983) is (4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol is CCOc1cc(C2C[C@H](O)c3ccccc3O2)ccc1O.
What is the InChIKey of (4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is UFYHLLKSLSPOFD-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-20-17-9-11(7-8-13(17)18)16-10-14(19)12-5-3-4-6-15(12)21-16/h3-9,14,16,18-19H,2,10H2,1H3/t14-,16?/m0/s1.
What are the key properties of (4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 286.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).