(4-butoxy-2-chloro-6-fluorophenyl)methanol

C11H14ClFO2 — CID 22219890

IUPAC(4-butoxy-2-chloro-6-fluorophenyl)methanol
SMILESCCCCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C11H14ClFO2/c1-2-3-4-15-8-5-10(12)9(7-14)11(13)6-8/h5-6,14H,2-4,7H2,1H3
InChIKeyGFTZMOGVTNHUFL-UHFFFAOYSA-N
MW232.68 g/mol
LogP3.15
Rot. Bonds5

About (4-butoxy-2-chloro-6-fluorophenyl)methanol

(4-butoxy-2-chloro-6-fluorophenyl)methanol (PubChem CID 22219890) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is (4-butoxy-2-chloro-6-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-butoxy-2-chloro-6-fluorophenyl)methanol
PubChem CID22219890
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name(4-butoxy-2-chloro-6-fluorophenyl)methanol
SMILESCCCCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C11H14ClFO2/c1-2-3-4-15-8-5-10(12)9(7-14)11(13)6-8/h5-6,14H,2-4,7H2,1H3
InChIKeyGFTZMOGVTNHUFL-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-butoxy-2-chloro-6-fluorophenyl)methanol?
The IUPAC name of (4-butoxy-2-chloro-6-fluorophenyl)methanol (CID 22219890) is (4-butoxy-2-chloro-6-fluorophenyl)methanol.
What is the SMILES notation for (4-butoxy-2-chloro-6-fluorophenyl)methanol?
The canonical SMILES for (4-butoxy-2-chloro-6-fluorophenyl)methanol is CCCCOc1cc(F)c(CO)c(Cl)c1.
What is the InChIKey of (4-butoxy-2-chloro-6-fluorophenyl)methanol?
The InChIKey is GFTZMOGVTNHUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-2-3-4-15-8-5-10(12)9(7-14)11(13)6-8/h5-6,14H,2-4,7H2,1H3.
What are the key properties of (4-butoxy-2-chloro-6-fluorophenyl)methanol?
(4-butoxy-2-chloro-6-fluorophenyl)methanol has a molecular weight of 232.68 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-2-chloro-6-fluorophenyl)methanol is sourced from PubChem (CID 22219890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).