2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene

C19H21FO3 — CID 58660707

IUPAC2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene
SMILESCCOc1ccc(C2CCc3cc(COC)cc(F)c3O2)cc1
InChIInChI=1S/C19H21FO3/c1-3-22-16-7-4-14(5-8-16)18-9-6-15-10-13(12-21-2)11-17(20)19(15)23-18/h4-5,7-8,10-11,18H,3,6,9,12H2,1-2H3
InChIKeyUNALXSJTQNNPEZ-UHFFFAOYSA-N
MW316.37 g/mol
LogP4.44
Rot. Bonds5

About 2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene

2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene (PubChem CID 58660707) has the molecular formula C19H21FO3 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene
PubChem CID58660707
Molecular FormulaC19H21FO3
Molecular Weight316.37 g/mol
Exact Mass316.15
IUPAC Name2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene
SMILESCCOc1ccc(C2CCc3cc(COC)cc(F)c3O2)cc1
InChIInChI=1S/C19H21FO3/c1-3-22-16-7-4-14(5-8-16)18-9-6-15-10-13(12-21-2)11-17(20)19(15)23-18/h4-5,7-8,10-11,18H,3,6,9,12H2,1-2H3
InChIKeyUNALXSJTQNNPEZ-UHFFFAOYSA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
CID 59795281
2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene
CID 59795028
(2R)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 142956928
5-[4-[(4-fluorophenyl)methoxy]phenyl]oxolan-2-one
CID 25178576
5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one
CID 25178378
7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 139828260
(2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol
CID 25186922
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 139828383
2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795492
methyl 2-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]butanoate
CID 141408566

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene (CID 58660707) is 2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene is CCOc1ccc(C2CCc3cc(COC)cc(F)c3O2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene?
The InChIKey is UNALXSJTQNNPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO3/c1-3-22-16-7-4-14(5-8-16)18-9-6-15-10-13(12-21-2)11-17(20)19(15)23-18/h4-5,7-8,10-11,18H,3,6,9,12H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene?
2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene has a molecular weight of 316.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-8-fluoro-6-(methoxymethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 58660707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).