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

C10H8ClFO2 — CID 22219846

IUPAC(2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C10H8ClFO2/c1-2-3-14-7-4-9(11)8(6-13)10(12)5-7/h1,4-5,13H,3,6H2
InChIKeyBVGZBWUIOWQLIK-UHFFFAOYSA-N
MW214.62 g/mol
LogP1.98
Rot. Bonds3

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

(2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol (PubChem CID 22219846) has the molecular formula C10H8ClFO2 and a molecular weight of 214.62 g/mol. Its IUPAC name is (2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol
PubChem CID22219846
Molecular FormulaC10H8ClFO2
Molecular Weight214.62 g/mol
Exact Mass214.02
IUPAC Name(2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C10H8ClFO2/c1-2-3-14-7-4-9(11)8(6-13)10(12)5-7/h1,4-5,13H,3,6H2
InChIKeyBVGZBWUIOWQLIK-UHFFFAOYSA-N
XLogP1.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol?
The IUPAC name of (2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol (CID 22219846) is (2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol.
What is the SMILES notation for (2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol?
The canonical SMILES for (2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol is C#CCOc1cc(F)c(CO)c(Cl)c1.
What is the InChIKey of (2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol?
The InChIKey is BVGZBWUIOWQLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO2/c1-2-3-14-7-4-9(11)8(6-13)10(12)5-7/h1,4-5,13H,3,6H2.
What are the key properties of (2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol?
(2-chloro-6-fluoro-4-prop-2-ynoxyphenyl)methanol has a molecular weight of 214.62 g/mol, XLogP of 1.98, 3 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-ynoxyphenyl)methanol is sourced from PubChem (CID 22219846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).