2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol

C32H32ClFO4 — CID 23147104

IUPAC2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol
SMILESCCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccc(F)c(Cl)c2)c1CCOCCO
InChIInChI=1S/C32H32ClFO4/c1-2-26-27(15-17-36-18-16-35)32(25-13-14-29(34)28(33)19-25)31(38-22-24-11-7-4-8-12-24)20-30(26)37-21-23-9-5-3-6-10-23/h3-14,19-20,35H,2,15-18,21-22H2,1H3
InChIKeyLVTWHJVGMFXQSY-UHFFFAOYSA-N
MW535.06 g/mol
LogP7.42
Rot. Bonds13

About 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol

2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol (PubChem CID 23147104) has the molecular formula C32H32ClFO4 and a molecular weight of 535.06 g/mol. Its IUPAC name is 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol
PubChem CID23147104
Molecular FormulaC32H32ClFO4
Molecular Weight535.06 g/mol
Exact Mass534.20
IUPAC Name2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol
SMILESCCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccc(F)c(Cl)c2)c1CCOCCO
InChIInChI=1S/C32H32ClFO4/c1-2-26-27(15-17-36-18-16-35)32(25-13-14-29(34)28(33)19-25)31(38-22-24-11-7-4-8-12-24)20-30(26)37-21-23-9-5-3-6-10-23/h3-14,19-20,35H,2,15-18,21-22H2,1H3
InChIKeyLVTWHJVGMFXQSY-UHFFFAOYSA-N
XLogP7.42
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.06
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol (CID 23147104) is 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol is CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccc(F)c(Cl)c2)c1CCOCCO.
What is the InChIKey of 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol?
The InChIKey is LVTWHJVGMFXQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClFO4/c1-2-26-27(15-17-36-18-16-35)32(25-13-14-29(34)28(33)19-25)31(38-22-24-11-7-4-8-12-24)20-30(26)37-21-23-9-5-3-6-10-23/h3-14,19-20,35H,2,15-18,21-22H2,1H3.
What are the key properties of 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol?
2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol has a molecular weight of 535.06 g/mol, XLogP of 7.42, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol is sourced from PubChem (CID 23147104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).