4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol

C19H18BrFO — CID 68654530

IUPAC4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol
SMILESOc1ccc(C(=C2CCCCC2)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C19H18BrFO/c20-16-9-6-14(7-10-16)19(13-4-2-1-3-5-13)15-8-11-18(22)17(21)12-15/h6-12,22H,1-5H2
InChIKeyIINYXBILYQKAMK-UHFFFAOYSA-N
MW361.25 g/mol
LogP6.06
Rot. Bonds2

About 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol

4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol (PubChem CID 68654530) has the molecular formula C19H18BrFO and a molecular weight of 361.25 g/mol. Its IUPAC name is 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol
PubChem CID68654530
Molecular FormulaC19H18BrFO
Molecular Weight361.25 g/mol
Exact Mass360.05
IUPAC Name4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol
SMILESOc1ccc(C(=C2CCCCC2)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C19H18BrFO/c20-16-9-6-14(7-10-16)19(13-4-2-1-3-5-13)15-8-11-18(22)17(21)12-15/h6-12,22H,1-5H2
InChIKeyIINYXBILYQKAMK-UHFFFAOYSA-N
XLogP6.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.25
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol?
The IUPAC name of 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol (CID 68654530) is 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol.
What is the SMILES notation for 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol?
The canonical SMILES for 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol is Oc1ccc(C(=C2CCCCC2)c2ccc(Br)cc2)cc1F.
What is the InChIKey of 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol?
The InChIKey is IINYXBILYQKAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFO/c20-16-9-6-14(7-10-16)19(13-4-2-1-3-5-13)15-8-11-18(22)17(21)12-15/h6-12,22H,1-5H2.
What are the key properties of 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol?
4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol has a molecular weight of 361.25 g/mol, XLogP of 6.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol is sourced from PubChem (CID 68654530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).