[2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol

C10H12ClFO3 — CID 22220010

IUPAC[2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C10H12ClFO3/c1-14-2-3-15-7-4-9(11)8(6-13)10(12)5-7/h4-5,13H,2-3,6H2,1H3
InChIKeyJJFJHGLRZJUTIP-UHFFFAOYSA-N
MW234.65 g/mol
LogP2.00
Rot. Bonds5

About [2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol

[2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol (PubChem CID 22220010) has the molecular formula C10H12ClFO3 and a molecular weight of 234.65 g/mol. Its IUPAC name is [2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol
PubChem CID22220010
Molecular FormulaC10H12ClFO3
Molecular Weight234.65 g/mol
Exact Mass234.05
IUPAC Name[2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C10H12ClFO3/c1-14-2-3-15-7-4-9(11)8(6-13)10(12)5-7/h4-5,13H,2-3,6H2,1H3
InChIKeyJJFJHGLRZJUTIP-UHFFFAOYSA-N
XLogP2.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol (CID 22220010) is [2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol is COCCOc1cc(F)c(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol?
The InChIKey is JJFJHGLRZJUTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3/c1-14-2-3-15-7-4-9(11)8(6-13)10(12)5-7/h4-5,13H,2-3,6H2,1H3.
What are the key properties of [2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol?
[2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol has a molecular weight of 234.65 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-fluoro-4-(2-methoxyethoxy)phenyl]methanol is sourced from PubChem (CID 22220010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).