(2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol

C10H10ClFO2 — CID 22220080

IUPAC(2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol
SMILESC=CCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C10H10ClFO2/c1-2-3-14-7-4-9(11)8(6-13)10(12)5-7/h2,4-5,13H,1,3,6H2
InChIKeyLGFFJJXPRUFPOS-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.54
Rot. Bonds4

About (2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol

(2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol (PubChem CID 22220080) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is (2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol
PubChem CID22220080
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name(2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol
SMILESC=CCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C10H10ClFO2/c1-2-3-14-7-4-9(11)8(6-13)10(12)5-7/h2,4-5,13H,1,3,6H2
InChIKeyLGFFJJXPRUFPOS-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol?
The IUPAC name of (2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol (CID 22220080) is (2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol.
What is the SMILES notation for (2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol?
The canonical SMILES for (2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol is C=CCOc1cc(F)c(CO)c(Cl)c1.
What is the InChIKey of (2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol?
The InChIKey is LGFFJJXPRUFPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-2-3-14-7-4-9(11)8(6-13)10(12)5-7/h2,4-5,13H,1,3,6H2.
What are the key properties of (2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol?
(2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol has a molecular weight of 216.64 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol is sourced from PubChem (CID 22220080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).