[2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol

C11H14ClFO3 — CID 22219994

IUPAC[2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol
SMILESCOCCCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C11H14ClFO3/c1-15-3-2-4-16-8-5-10(12)9(7-14)11(13)6-8/h5-6,14H,2-4,7H2,1H3
InChIKeyTZGJAZYEXHFHHI-UHFFFAOYSA-N
MW248.68 g/mol
LogP2.39
Rot. Bonds6

About [2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol

[2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol (PubChem CID 22219994) has the molecular formula C11H14ClFO3 and a molecular weight of 248.68 g/mol. Its IUPAC name is [2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol
PubChem CID22219994
Molecular FormulaC11H14ClFO3
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name[2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol
SMILESCOCCCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C11H14ClFO3/c1-15-3-2-4-16-8-5-10(12)9(7-14)11(13)6-8/h5-6,14H,2-4,7H2,1H3
InChIKeyTZGJAZYEXHFHHI-UHFFFAOYSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 52.39
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-(3-methoxypropoxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol (CID 22219994) is [2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol is COCCCOc1cc(F)c(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol?
The InChIKey is TZGJAZYEXHFHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO3/c1-15-3-2-4-16-8-5-10(12)9(7-14)11(13)6-8/h5-6,14H,2-4,7H2,1H3.
What are the key properties of [2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol?
[2-chloro-6-fluoro-4-(3-methoxypropoxy)phenyl]methanol has a molecular weight of 248.68 g/mol, XLogP of 2.39, 6 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-(3-methoxypropoxy)phenyl]methanol is sourced from PubChem (CID 22219994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).