5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene

C18H20F2O4 — CID 137454177

IUPAC5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(CCc2ccc(OC(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20F2O4/c1-21-15-10-13(11-16(22-2)17(15)23-3)5-4-12-6-8-14(9-7-12)24-18(19)20/h6-11,18H,4-5H2,1-3H3
InChIKeyVQGJHDBHUOWXFY-UHFFFAOYSA-N
MW338.35 g/mol
LogP4.10
Rot. Bonds8

About 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene

5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene (PubChem CID 137454177) has the molecular formula C18H20F2O4 and a molecular weight of 338.35 g/mol. Its IUPAC name is 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
PubChem CID137454177
Molecular FormulaC18H20F2O4
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(CCc2ccc(OC(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20F2O4/c1-21-15-10-13(11-16(22-2)17(15)23-3)5-4-12-6-8-14(9-7-12)24-18(19)20/h6-11,18H,4-5H2,1-3H3
InChIKeyVQGJHDBHUOWXFY-UHFFFAOYSA-N
XLogP4.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 137454022
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581
5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 137454170
[2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfamate
CID 137451145
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 146049973
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene
CID 10358281
1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870908
1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene
CID 118254959

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene (CID 137454177) is 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene is COc1cc(CCc2ccc(OC(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene?
The InChIKey is VQGJHDBHUOWXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O4/c1-21-15-10-13(11-16(22-2)17(15)23-3)5-4-12-6-8-14(9-7-12)24-18(19)20/h6-11,18H,4-5H2,1-3H3.
What are the key properties of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene?
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene has a molecular weight of 338.35 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 137454177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).