2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol

C11H14ClFO2 — CID 154628107

IUPAC2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol
SMILESOCCc1ccc(OCCCCl)c(F)c1
InChIInChI=1S/C11H14ClFO2/c12-5-1-7-15-11-3-2-9(4-6-14)8-10(11)13/h2-3,8,14H,1,4-7H2
InChIKeyVIRYMACZBJHLJV-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.37
Rot. Bonds6

About 2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol

2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol (PubChem CID 154628107) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol
PubChem CID154628107
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol
SMILESOCCc1ccc(OCCCCl)c(F)c1
InChIInChI=1S/C11H14ClFO2/c12-5-1-7-15-11-3-2-9(4-6-14)8-10(11)13/h2-3,8,14H,1,4-7H2
InChIKeyVIRYMACZBJHLJV-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
2-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 107692637
4-(chloromethyl)-1-(3-ethoxypropoxy)-2-fluorobenzene
CID 107691448
[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
CID 107690963
2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol
CID 71240329
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
[4-(3-ethylsulfonylpropoxy)-3-fluorophenyl]methanol
CID 107690484
2-[2-(4-butoxy-3-fluorophenyl)ethyl]-5-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 139758552
N-(2-chloroethyl)-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115215056
[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol?
The IUPAC name of 2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol (CID 154628107) is 2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol.
What is the SMILES notation for 2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol?
The canonical SMILES for 2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol is OCCc1ccc(OCCCCl)c(F)c1.
What is the InChIKey of 2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol?
The InChIKey is VIRYMACZBJHLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c12-5-1-7-15-11-3-2-9(4-6-14)8-10(11)13/h2-3,8,14H,1,4-7H2.
What are the key properties of 2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol?
2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol has a molecular weight of 232.68 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol is sourced from PubChem (CID 154628107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).