5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene

C19H22F2O2 — CID 154123495

IUPAC5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene
SMILESCCCc1c(OC)cc(CCc2c(F)cccc2F)cc1OC
InChIInChI=1S/C19H22F2O2/c1-4-6-15-18(22-2)11-13(12-19(15)23-3)9-10-14-16(20)7-5-8-17(14)21/h5,7-8,11-12H,4,6,9-10H2,1-3H3
InChIKeyYLCXYOCQQRXAAY-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.72
Rot. Bonds7

About 5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene

5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene (PubChem CID 154123495) has the molecular formula C19H22F2O2 and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene.

Molecular Properties

Compound Name5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene
PubChem CID154123495
Molecular FormulaC19H22F2O2
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Name5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene
SMILESCCCc1c(OC)cc(CCc2c(F)cccc2F)cc1OC
InChIInChI=1S/C19H22F2O2/c1-4-6-15-18(22-2)11-13(12-19(15)23-3)9-10-14-16(20)7-5-8-17(14)21/h5,7-8,11-12H,4,6,9-10H2,1-3H3
InChIKeyYLCXYOCQQRXAAY-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 160803924
CID 160803924
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol
CID 144705849
1-[2-(2,6-difluorophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]-3-ethylguanidine
CID 111200344
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
2,5-diethyl-1-fluoro-3-methoxybenzene
CID 175600199
3-methoxy-2-propylphenol
CID 10607156
1-cyclopropyl-3-fluoro-2-propylbenzene
CID 143129340
2-[2-(4-butoxy-3-fluorophenyl)ethyl]-5-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 139758552
2-butyl-1,3-dimethoxybenzene
CID 524840
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine
CID 117304123

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene?
The IUPAC name of 5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene (CID 154123495) is 5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene.
What is the SMILES notation for 5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene?
The canonical SMILES for 5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene is CCCc1c(OC)cc(CCc2c(F)cccc2F)cc1OC.
What is the InChIKey of 5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene?
The InChIKey is YLCXYOCQQRXAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2O2/c1-4-6-15-18(22-2)11-13(12-19(15)23-3)9-10-14-16(20)7-5-8-17(14)21/h5,7-8,11-12H,4,6,9-10H2,1-3H3.
What are the key properties of 5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene?
5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene has a molecular weight of 320.38 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene is sourced from PubChem (CID 154123495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).