6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene

C18H18F2O — CID 69234280

IUPAC6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
SMILESCCc1ccc(-c2cc3c(c(F)c2F)OC(C)CC3)cc1
InChIInChI=1S/C18H18F2O/c1-3-12-5-8-13(9-6-12)15-10-14-7-4-11(2)21-18(14)17(20)16(15)19/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyWTEDJQZLVVPPPE-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.91
Rot. Bonds2

About 6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene

6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene (PubChem CID 69234280) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
PubChem CID69234280
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
SMILESCCc1ccc(-c2cc3c(c(F)c2F)OC(C)CC3)cc1
InChIInChI=1S/C18H18F2O/c1-3-12-5-8-13(9-6-12)15-10-14-7-4-11(2)21-18(14)17(20)16(15)19/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyWTEDJQZLVVPPPE-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene
CID 59795028
7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene
CID 126578543
6-ethyl-2-methyl-3,4-dihydro-2H-chromene
CID 143125132
8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene
CID 59794974
4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 161217958
7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795489
4-(4-ethylphenyl)-2,3-difluorophenol
CID 19911018
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
5-fluoro-2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-chromen-8-yl]benzonitrile
CID 143663661
7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene
CID 90278325
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 59795217

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene (CID 69234280) is 6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene is CCc1ccc(-c2cc3c(c(F)c2F)OC(C)CC3)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
The InChIKey is WTEDJQZLVVPPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c1-3-12-5-8-13(9-6-12)15-10-14-7-4-11(2)21-18(14)17(20)16(15)19/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene has a molecular weight of 288.34 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 69234280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).