4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol

C20H16ClFO — CID 22616276

IUPAC4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol
SMILESOc1ccc(-c2ccc(CCc3c(F)cccc3Cl)cc2)cc1
InChIInChI=1S/C20H16ClFO/c21-19-2-1-3-20(22)18(19)13-6-14-4-7-15(8-5-14)16-9-11-17(23)12-10-16/h1-5,7-12,23H,6,13H2
InChIKeyZEEXLRLAQUXQDU-UHFFFAOYSA-N
MW326.80 g/mol
LogP5.64
Rot. Bonds4

About 4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol

4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol (PubChem CID 22616276) has the molecular formula C20H16ClFO and a molecular weight of 326.80 g/mol. Its IUPAC name is 4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol
PubChem CID22616276
Molecular FormulaC20H16ClFO
Molecular Weight326.80 g/mol
Exact Mass326.09
IUPAC Name4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol
SMILESOc1ccc(-c2ccc(CCc3c(F)cccc3Cl)cc2)cc1
InChIInChI=1S/C20H16ClFO/c21-19-2-1-3-20(22)18(19)13-6-14-4-7-15(8-5-14)16-9-11-17(23)12-10-16/h1-5,7-12,23H,6,13H2
InChIKeyZEEXLRLAQUXQDU-UHFFFAOYSA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.80
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene
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4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol
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2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
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2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
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[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol
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CID 167462330
CID 167462330

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol?
The IUPAC name of 4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol (CID 22616276) is 4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol?
The canonical SMILES for 4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol is Oc1ccc(-c2ccc(CCc3c(F)cccc3Cl)cc2)cc1.
What is the InChIKey of 4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol?
The InChIKey is ZEEXLRLAQUXQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFO/c21-19-2-1-3-20(22)18(19)13-6-14-4-7-15(8-5-14)16-9-11-17(23)12-10-16/h1-5,7-12,23H,6,13H2.
What are the key properties of 4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol?
4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol has a molecular weight of 326.80 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol is sourced from PubChem (CID 22616276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).