(2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene

C17H17FO2 — CID 138963771

IUPAC(2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene
SMILESCCO[C@H]1Oc2ccccc2C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H17FO2/c1-2-19-17-15(12-7-9-14(18)10-8-12)11-13-5-3-4-6-16(13)20-17/h3-10,15,17H,2,11H2,1H3/t15-,17+/m1/s1
InChIKeyTVMIYHGNUFYJES-WBVHZDCISA-N
MW272.32 g/mol
LogP3.91
Rot. Bonds3

About (2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene

(2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene (PubChem CID 138963771) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is (2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene
PubChem CID138963771
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name(2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene
SMILESCCO[C@H]1Oc2ccccc2C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H17FO2/c1-2-19-17-15(12-7-9-14(18)10-8-12)11-13-5-3-4-6-16(13)20-17/h3-10,15,17H,2,11H2,1H3/t15-,17+/m1/s1
InChIKeyTVMIYHGNUFYJES-WBVHZDCISA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 70261253
(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 138963774
2-ethoxy-3-fluoro-2,3-dihydro-1-benzofuran
CID 141453063
5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one
CID 139757381
4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol
CID 174419462
ethyl (3S)-3-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-3-(4-fluorophenyl)propanoate
CID 37039173
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
4-ethoxy-2-(4-fluorophenyl)-2H-chromene
CID 3497999
(2S,3S)-3-phenyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 10658583
2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
CID 72697752
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of (2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene (CID 138963771) is (2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene is CCO[C@H]1Oc2ccccc2C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene?
The InChIKey is TVMIYHGNUFYJES-WBVHZDCISA-N. The full InChI is InChI=1S/C17H17FO2/c1-2-19-17-15(12-7-9-14(18)10-8-12)11-13-5-3-4-6-16(13)20-17/h3-10,15,17H,2,11H2,1H3/t15-,17+/m1/s1.
What are the key properties of (2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene?
(2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene has a molecular weight of 272.32 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethoxy-3-(4-fluorophenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 138963771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).