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

C16H16ClFO2 — CID 105093982

IUPAC2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(C(O)C(C)Oc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C16H16ClFO2/c1-10-8-12(6-7-15(10)18)16(19)11(2)20-14-5-3-4-13(17)9-14/h3-9,11,16,19H,1-2H3
InChIKeyAEYRDIBCAZCVGT-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.29
Rot. Bonds4

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

2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol (PubChem CID 105093982) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
PubChem CID105093982
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(C(O)C(C)Oc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C16H16ClFO2/c1-10-8-12(6-7-15(10)18)16(19)11(2)20-14-5-3-4-13(17)9-14/h3-9,11,16,19H,1-2H3
InChIKeyAEYRDIBCAZCVGT-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
CID 105103501
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 105083696
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 107130479
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 105131249
3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol
CID 105377681
2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
CID 105092349
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444
2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
CID 105142039

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol (CID 105093982) is 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol is Cc1cc(C(O)C(C)Oc2cccc(Cl)c2)ccc1F.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The InChIKey is AEYRDIBCAZCVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-10-8-12(6-7-15(10)18)16(19)11(2)20-14-5-3-4-13(17)9-14/h3-9,11,16,19H,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol has a molecular weight of 294.75 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 105093982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).