6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene

C17H17FO2 — CID 143663719

IUPAC6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene
SMILESCOc1ccc(-c2cc(F)cc3c2OCCC3)c(C)c1
InChIInChI=1S/C17H17FO2/c1-11-8-14(19-2)5-6-15(11)16-10-13(18)9-12-4-3-7-20-17(12)16/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyNYQFZDLCSXLHKU-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.13
Rot. Bonds2

About 6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene

6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene (PubChem CID 143663719) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene
PubChem CID143663719
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene
SMILESCOc1ccc(-c2cc(F)cc3c2OCCC3)c(C)c1
InChIInChI=1S/C17H17FO2/c1-11-8-14(19-2)5-6-15(11)16-10-13(18)9-12-4-3-7-20-17(12)16/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyNYQFZDLCSXLHKU-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromene
CID 143663684
6,8-difluoro-3,4-dihydro-2H-chromene
CID 69010256
3-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)-4-(trifluoromethyl)benzonitrile
CID 143567607
[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11403470
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 114744317
6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde
CID 11229132
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methanol
CID 55252783
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92981403

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene (CID 143663719) is 6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene is COc1ccc(-c2cc(F)cc3c2OCCC3)c(C)c1.
What is the InChIKey of 6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene?
The InChIKey is NYQFZDLCSXLHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11-8-14(19-2)5-6-15(11)16-10-13(18)9-12-4-3-7-20-17(12)16/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene?
6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene has a molecular weight of 272.32 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 143663719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).