1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene

C18H20F2O — CID 166661123

IUPAC1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene
SMILESCCc1ccc(CC(C)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C18H20F2O/c1-4-14-6-5-13(10-18(14)21-3)9-12(2)16-8-7-15(19)11-17(16)20/h5-8,10-12H,4,9H2,1-3H3
InChIKeySIGZMJJIGPADMS-UHFFFAOYSA-N
MW290.35 g/mol
LogP4.88
Rot. Bonds5

About 1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene

1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene (PubChem CID 166661123) has the molecular formula C18H20F2O and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene
PubChem CID166661123
Molecular FormulaC18H20F2O
Molecular Weight290.35 g/mol
Exact Mass290.15
IUPAC Name1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene
SMILESCCc1ccc(CC(C)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C18H20F2O/c1-4-14-6-5-13(10-18(14)21-3)9-12(2)16-8-7-15(19)11-17(16)20/h5-8,10-12H,4,9H2,1-3H3
InChIKeySIGZMJJIGPADMS-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
4-(4-ethyl-3-methoxyphenyl)butan-2-amine
CID 118279101
2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 83975169
2-(4-ethyl-3-methoxyphenyl)acetaldehyde
CID 87726186
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331
2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene
CID 156559115
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1,4-difluorobenzene
CID 61084129
1-(4-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 69036284
2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 62790885
1-[2-bromo-2-(4-bromo-2-methoxyphenyl)ethyl]-2,4-difluorobenzene
CID 115370122

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene?
The IUPAC name of 1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene (CID 166661123) is 1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene?
The canonical SMILES for 1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene is CCc1ccc(CC(C)c2ccc(F)cc2F)cc1OC.
What is the InChIKey of 1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene?
The InChIKey is SIGZMJJIGPADMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O/c1-4-14-6-5-13(10-18(14)21-3)9-12(2)16-8-7-15(19)11-17(16)20/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of 1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene?
1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene has a molecular weight of 290.35 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene is sourced from PubChem (CID 166661123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).