[5-chloro-2-(2-fluoropropoxy)phenyl]methanol

C10H12ClFO2 — CID 89444537

IUPAC[5-chloro-2-(2-fluoropropoxy)phenyl]methanol
SMILESCC(F)COc1ccc(Cl)cc1CO
InChIInChI=1S/C10H12ClFO2/c1-7(12)6-14-10-3-2-9(11)4-8(10)5-13/h2-4,7,13H,5-6H2,1H3
InChIKeyDMJMJPDSEHCXJJ-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.57
Rot. Bonds4

About [5-chloro-2-(2-fluoropropoxy)phenyl]methanol

[5-chloro-2-(2-fluoropropoxy)phenyl]methanol (PubChem CID 89444537) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is [5-chloro-2-(2-fluoropropoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2-fluoropropoxy)phenyl]methanol
PubChem CID89444537
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name[5-chloro-2-(2-fluoropropoxy)phenyl]methanol
SMILESCC(F)COc1ccc(Cl)cc1CO
InChIInChI=1S/C10H12ClFO2/c1-7(12)6-14-10-3-2-9(11)4-8(10)5-13/h2-4,7,13H,5-6H2,1H3
InChIKeyDMJMJPDSEHCXJJ-UHFFFAOYSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-fluoropropoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(2-fluoropropoxy)phenyl]methanol (CID 89444537) is [5-chloro-2-(2-fluoropropoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2-fluoropropoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(2-fluoropropoxy)phenyl]methanol is CC(F)COc1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-(2-fluoropropoxy)phenyl]methanol?
The InChIKey is DMJMJPDSEHCXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-7(12)6-14-10-3-2-9(11)4-8(10)5-13/h2-4,7,13H,5-6H2,1H3.
What are the key properties of [5-chloro-2-(2-fluoropropoxy)phenyl]methanol?
[5-chloro-2-(2-fluoropropoxy)phenyl]methanol has a molecular weight of 218.65 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-fluoropropoxy)phenyl]methanol is sourced from PubChem (CID 89444537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).