ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene

C13H19FO2 — CID 142276557

IUPACethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene
SMILESCC.COc1ccc(F)c2c1OC(C)CC2
InChIInChI=1S/C11H13FO2.C2H6/c1-7-3-4-8-9(12)5-6-10(13-2)11(8)14-7;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyHNXWWNWKCDBIMC-UHFFFAOYSA-N
MW226.29 g/mol
LogP3.57
Rot. Bonds1

About ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene

ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene (PubChem CID 142276557) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Nameethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene
PubChem CID142276557
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Nameethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene
SMILESCC.COc1ccc(F)c2c1OC(C)CC2
InChIInChI=1S/C11H13FO2.C2H6/c1-7-3-4-8-9(12)5-6-10(13-2)11(8)14-7;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyHNXWWNWKCDBIMC-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-7-methoxy-2,3-dihydro-1H-indene
CID 23208941
2,5,8-trimethyl-3,4-dihydro-2H-chromene
CID 167473800
acetic acid;1,2-difluoro-3-methoxybenzene;2-methyloxolane
CID 171794666
5-fluoro-8-methoxy-3-methyl-1H-isothiochromen-4-one
CID 82888216
7-fluoro-5-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69128982
7-fluoro-4-methoxy-2,3-dihydroinden-1-one
CID 53486405
(1S,3S)-5,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 101024158
7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108156
2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran
CID 155032390
(1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 126702076
8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile
CID 54411870
6-fluoro-9-methoxy-3-methyl-3,4-dihydro-1H-2-benzothiepin-5-one
CID 82886195

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene (CID 142276557) is ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene is CC.COc1ccc(F)c2c1OC(C)CC2.
What is the InChIKey of ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene?
The InChIKey is HNXWWNWKCDBIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2.C2H6/c1-7-3-4-8-9(12)5-6-10(13-2)11(8)14-7;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene?
ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene has a molecular weight of 226.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 142276557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).