1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene

C23H22F2O2 — CID 19436212

IUPAC1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene
SMILESCCOc1ccc(CCc2ccc(-c3ccc(OC(F)F)cc3)cc2)cc1
InChIInChI=1S/C23H22F2O2/c1-2-26-21-13-7-18(8-14-21)4-3-17-5-9-19(10-6-17)20-11-15-22(16-12-20)27-23(24)25/h5-16,23H,2-4H2,1H3
InChIKeyHPKLTXQQNHCYSQ-UHFFFAOYSA-N
MW368.42 g/mol
LogP6.14
Rot. Bonds8

About 1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene

1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene (PubChem CID 19436212) has the molecular formula C23H22F2O2 and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene
PubChem CID19436212
Molecular FormulaC23H22F2O2
Molecular Weight368.42 g/mol
Exact Mass368.16
IUPAC Name1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene
SMILESCCOc1ccc(CCc2ccc(-c3ccc(OC(F)F)cc3)cc2)cc1
InChIInChI=1S/C23H22F2O2/c1-2-26-21-13-7-18(8-14-21)4-3-17-5-9-19(10-6-17)20-11-15-22(16-12-20)27-23(24)25/h5-16,23H,2-4H2,1H3
InChIKeyHPKLTXQQNHCYSQ-UHFFFAOYSA-N
XLogP6.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene (CID 19436212) is 1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene is CCOc1ccc(CCc2ccc(-c3ccc(OC(F)F)cc3)cc2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene?
The InChIKey is HPKLTXQQNHCYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2O2/c1-2-26-21-13-7-18(8-14-21)4-3-17-5-9-19(10-6-17)20-11-15-22(16-12-20)27-23(24)25/h5-16,23H,2-4H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene?
1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene has a molecular weight of 368.42 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]benzene is sourced from PubChem (CID 19436212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).