3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol

C10H10ClFO — CID 79335022

IUPAC3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol
SMILESCC(=Cc1ccc(Cl)c(F)c1)CO
InChIInChI=1S/C10H10ClFO/c1-7(6-13)4-8-2-3-9(11)10(12)5-8/h2-5,13H,6H2,1H3
InChIKeyZCPXXFANYRYFIE-UHFFFAOYSA-N
MW200.64 g/mol
LogP2.87
Rot. Bonds2

About 3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol

3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol (PubChem CID 79335022) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol
PubChem CID79335022
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol
SMILESCC(=Cc1ccc(Cl)c(F)c1)CO
InChIInChI=1S/C10H10ClFO/c1-7(6-13)4-8-2-3-9(11)10(12)5-8/h2-5,13H,6H2,1H3
InChIKeyZCPXXFANYRYFIE-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol (CID 79335022) is 3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol is CC(=Cc1ccc(Cl)c(F)c1)CO.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol?
The InChIKey is ZCPXXFANYRYFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-7(6-13)4-8-2-3-9(11)10(12)5-8/h2-5,13H,6H2,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol?
3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol has a molecular weight of 200.64 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79335022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).