2-[(4-fluorophenyl)methyl]prop-2-en-1-ol

C10H11FO — CID 117266723

IUPAC2-[(4-fluorophenyl)methyl]prop-2-en-1-ol
SMILESC=C(CO)Cc1ccc(F)cc1
InChIInChI=1S/C10H11FO/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,12H,1,6-7H2
InChIKeyCNVWSTGHGFNNFC-UHFFFAOYSA-N
MW166.19 g/mol
LogP1.92
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]prop-2-en-1-ol

2-[(4-fluorophenyl)methyl]prop-2-en-1-ol (PubChem CID 117266723) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]prop-2-en-1-ol
PubChem CID117266723
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name2-[(4-fluorophenyl)methyl]prop-2-en-1-ol
SMILESC=C(CO)Cc1ccc(F)cc1
InChIInChI=1S/C10H11FO/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,12H,1,6-7H2
InChIKeyCNVWSTGHGFNNFC-UHFFFAOYSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]prop-2-en-1-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl]prop-2-en-1-ol (CID 117266723) is 2-[(4-fluorophenyl)methyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]prop-2-en-1-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]prop-2-en-1-ol is C=C(CO)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]prop-2-en-1-ol?
The InChIKey is CNVWSTGHGFNNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,12H,1,6-7H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]prop-2-en-1-ol?
2-[(4-fluorophenyl)methyl]prop-2-en-1-ol has a molecular weight of 166.19 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]prop-2-en-1-ol is sourced from PubChem (CID 117266723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).