3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol

C17H18ClFO2 — CID 105377681

IUPAC3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol
SMILESCc1ccc(F)cc1CC(O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H18ClFO2/c1-11-6-7-15(19)8-13(11)9-17(20)12(2)21-16-5-3-4-14(18)10-16/h3-8,10,12,17,20H,9H2,1-2H3
InChIKeyRCMMFNDQUSOFCL-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.16
Rot. Bonds5

About 3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol

3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol (PubChem CID 105377681) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol
PubChem CID105377681
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol
SMILESCc1ccc(F)cc1CC(O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H18ClFO2/c1-11-6-7-15(19)8-13(11)9-17(20)12(2)21-16-5-3-4-14(18)10-16/h3-8,10,12,17,20H,9H2,1-2H3
InChIKeyRCMMFNDQUSOFCL-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-(4-fluoro-2-methylphenyl)butan-2-ol
CID 105131249
1-(2-chloro-5-fluorophenyl)-3-(3-chlorophenoxy)butan-2-amine
CID 102622785
2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
CID 105103501
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 105093982
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 107103532
2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
CID 133150429
3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107065734
3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107078
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62387586
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol?
The IUPAC name of 3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol (CID 105377681) is 3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol.
What is the SMILES notation for 3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol?
The canonical SMILES for 3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol is Cc1ccc(F)cc1CC(O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol?
The InChIKey is RCMMFNDQUSOFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-11-6-7-15(19)8-13(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-(5-fluoro-2-methylphenyl)butan-2-ol?
3-(3-chlorophenoxy)-1-(5-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-(5-fluoro-2-methylphenyl)butan-2-ol is sourced from PubChem (CID 105377681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).