4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol

C23H18F6O2 — CID 173305926

IUPAC4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol
SMILESCCc1ccc(-c2c(O)cc(F)c(CCc3cc(F)c(OC(F)F)c(F)c3)c2F)cc1
InChIInChI=1S/C23H18F6O2/c1-2-12-3-6-14(7-4-12)20-19(30)11-16(24)15(21(20)27)8-5-13-9-17(25)22(18(26)10-13)31-23(28)29/h3-4,6-7,9-11,23,30H,2,5,8H2,1H3
InChIKeyDGLPWSPNNURLPH-UHFFFAOYSA-N
MW440.38 g/mol
LogP6.56
Rot. Bonds7

About 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol

4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol (PubChem CID 173305926) has the molecular formula C23H18F6O2 and a molecular weight of 440.38 g/mol. Its IUPAC name is 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol.

Molecular Properties

Compound Name4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol
PubChem CID173305926
Molecular FormulaC23H18F6O2
Molecular Weight440.38 g/mol
Exact Mass440.12
IUPAC Name4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol
SMILESCCc1ccc(-c2c(O)cc(F)c(CCc3cc(F)c(OC(F)F)c(F)c3)c2F)cc1
InChIInChI=1S/C23H18F6O2/c1-2-12-3-6-14(7-4-12)20-19(30)11-16(24)15(21(20)27)8-5-13-9-17(25)22(18(26)10-13)31-23(28)29/h3-4,6-7,9-11,23,30H,2,5,8H2,1H3
InChIKeyDGLPWSPNNURLPH-UHFFFAOYSA-N
XLogP6.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol
CID 173305737
4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol
CID 173305724
2-(4-butylphenyl)-3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenol
CID 173325915
4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol
CID 173305642
2-(difluoromethoxy)-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2,6-difluorophenyl]ethyl]-1,3-difluorobenzene
CID 139758517
2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855620
2-(4-butyl-2-fluorophenyl)-4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3,5-difluorophenol
CID 173305838
2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene
CID 139855442
4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol
CID 101302782
1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene
CID 139863904
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139875417
5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene
CID 22913855

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol?
The IUPAC name of 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol (CID 173305926) is 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol.
What is the SMILES notation for 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol?
The canonical SMILES for 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol is CCc1ccc(-c2c(O)cc(F)c(CCc3cc(F)c(OC(F)F)c(F)c3)c2F)cc1.
What is the InChIKey of 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol?
The InChIKey is DGLPWSPNNURLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6O2/c1-2-12-3-6-14(7-4-12)20-19(30)11-16(24)15(21(20)27)8-5-13-9-17(25)22(18(26)10-13)31-23(28)29/h3-4,6-7,9-11,23,30H,2,5,8H2,1H3.
What are the key properties of 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol?
4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol has a molecular weight of 440.38 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol is sourced from PubChem (CID 173305926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).