(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

C17H17FO3 — CID 104951800

IUPAC(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1cccc(C2C[C@H](O)c3ccc(F)cc3O2)c1
InChIInChI=1S/C17H17FO3/c1-2-20-13-5-3-4-11(8-13)16-10-15(19)14-7-6-12(18)9-17(14)21-16/h3-9,15-16,19H,2,10H2,1H3/t15-,16?/m0/s1
InChIKeyJXJLDOXBMGPXJQ-VYRBHSGPSA-N
MW288.32 g/mol
LogP3.78
Rot. Bonds3

About (4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951800) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is (4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951800
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1cccc(C2C[C@H](O)c3ccc(F)cc3O2)c1
InChIInChI=1S/C17H17FO3/c1-2-20-13-5-3-4-11(8-13)16-10-15(19)14-7-6-12(18)9-17(14)21-16/h3-9,15-16,19H,2,10H2,1H3/t15-,16?/m0/s1
InChIKeyJXJLDOXBMGPXJQ-VYRBHSGPSA-N
XLogP3.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708
(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948887
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715770
(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949995
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715884
7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 107694148
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715772
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 104951800) is (4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is CCOc1cccc(C2C[C@H](O)c3ccc(F)cc3O2)c1.
What is the InChIKey of (4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is JXJLDOXBMGPXJQ-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H17FO3/c1-2-20-13-5-3-4-11(8-13)16-10-15(19)14-7-6-12(18)9-17(14)21-16/h3-9,15-16,19H,2,10H2,1H3/t15-,16?/m0/s1.
What are the key properties of (4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 288.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).