2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

C18H20F2O5 — CID 137454022

IUPAC2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOc1cc(CCc2ccc(OC(F)F)c(O)c2)cc(OC)c1OC
InChIInChI=1S/C18H20F2O5/c1-22-15-9-12(10-16(23-2)17(15)24-3)5-4-11-6-7-14(13(21)8-11)25-18(19)20/h6-10,18,21H,4-5H2,1-3H3
InChIKeyMVVDYMKNIPHGCU-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.80
Rot. Bonds8

About 2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol (PubChem CID 137454022) has the molecular formula C18H20F2O5 and a molecular weight of 354.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
PubChem CID137454022
Molecular FormulaC18H20F2O5
Molecular Weight354.35 g/mol
Exact Mass354.13
IUPAC Name2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOc1cc(CCc2ccc(OC(F)F)c(O)c2)cc(OC)c1OC
InChIInChI=1S/C18H20F2O5/c1-22-15-9-12(10-16(23-2)17(15)24-3)5-4-11-6-7-14(13(21)8-11)25-18(19)20/h6-10,18,21H,4-5H2,1-3H3
InChIKeyMVVDYMKNIPHGCU-UHFFFAOYSA-N
XLogP3.80
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfamate
CID 137451145
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 137454177
5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol
CID 172870436
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118835915
5-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870539
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]guanidine
CID 110928047
ethyl 3-[4-(difluoromethoxy)-3-hydroxyphenyl]propanoate
CID 134632626
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The IUPAC name of 2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol (CID 137454022) is 2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The canonical SMILES for 2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol is COc1cc(CCc2ccc(OC(F)F)c(O)c2)cc(OC)c1OC.
What is the InChIKey of 2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The InChIKey is MVVDYMKNIPHGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O5/c1-22-15-9-12(10-16(23-2)17(15)24-3)5-4-11-6-7-14(13(21)8-11)25-18(19)20/h6-10,18,21H,4-5H2,1-3H3.
What are the key properties of 2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol has a molecular weight of 354.35 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol is sourced from PubChem (CID 137454022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).