1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol

C16H15Cl2FO2 — CID 69107985

IUPAC1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol
SMILESCOc1c(CC(C)O)cc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2FO2/c1-9(20)6-10-7-11(19)8-12(16(10)21-2)15-13(17)4-3-5-14(15)18/h3-5,7-9,20H,6H2,1-2H3
InChIKeyBIGKMROKDMIDGM-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.73
Rot. Bonds4

About 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol

1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol (PubChem CID 69107985) has the molecular formula C16H15Cl2FO2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol
PubChem CID69107985
Molecular FormulaC16H15Cl2FO2
Molecular Weight329.20 g/mol
Exact Mass328.04
IUPAC Name1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol
SMILESCOc1c(CC(C)O)cc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2FO2/c1-9(20)6-10-7-11(19)8-12(16(10)21-2)15-13(17)4-3-5-14(15)18/h3-5,7-9,20H,6H2,1-2H3
InChIKeyBIGKMROKDMIDGM-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol?
The IUPAC name of 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol (CID 69107985) is 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol.
What is the SMILES notation for 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol?
The canonical SMILES for 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol is COc1c(CC(C)O)cc(F)cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol?
The InChIKey is BIGKMROKDMIDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO2/c1-9(20)6-10-7-11(19)8-12(16(10)21-2)15-13(17)4-3-5-14(15)18/h3-5,7-9,20H,6H2,1-2H3.
What are the key properties of 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol?
1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol has a molecular weight of 329.20 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]propan-2-ol is sourced from PubChem (CID 69107985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).