3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol

C17H18ClFO2 — CID 105131249

IUPAC3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol
SMILESCc1cc(F)ccc1CC(O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H18ClFO2/c1-11-8-15(19)7-6-13(11)9-17(20)12(2)21-16-5-3-4-14(18)10-16/h3-8,10,12,17,20H,9H2,1-2H3
InChIKeyPZMGGJCGOFROEJ-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.16
Rot. Bonds5

About 3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol

3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol (PubChem CID 105131249) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol
PubChem CID105131249
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol
SMILESCc1cc(F)ccc1CC(O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H18ClFO2/c1-11-8-15(19)7-6-13(11)9-17(20)12(2)21-16-5-3-4-14(18)10-16/h3-8,10,12,17,20H,9H2,1-2H3
InChIKeyPZMGGJCGOFROEJ-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol
CID 105377681
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
1-(2-chloro-5-fluorophenyl)-3-(3-chlorophenoxy)butan-2-amine
CID 102622785
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 105093982
2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
CID 105103501
3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107078
3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107065734
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
CID 105397219
1-(3-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346766
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol?
The IUPAC name of 3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol (CID 105131249) is 3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol.
What is the SMILES notation for 3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol?
The canonical SMILES for 3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol is Cc1cc(F)ccc1CC(O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol?
The InChIKey is PZMGGJCGOFROEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-11-8-15(19)7-6-13(11)9-17(20)12(2)21-16-5-3-4-14(18)10-16/h3-8,10,12,17,20H,9H2,1-2H3.
What are the key properties of 3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol?
3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol has a molecular weight of 308.78 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol is sourced from PubChem (CID 105131249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).