1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol

C15H13Cl2FO2 — CID 105124071

IUPAC1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol
SMILESOC(COc1cccc(Cl)c1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13Cl2FO2/c16-11-4-2-5-13(8-11)20-9-12(19)7-10-3-1-6-14(18)15(10)17/h1-6,8,12,19H,7,9H2
InChIKeyPKIQIIBNHWNQOB-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.11
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol

1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol (PubChem CID 105124071) has the molecular formula C15H13Cl2FO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol
PubChem CID105124071
Molecular FormulaC15H13Cl2FO2
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol
SMILESOC(COc1cccc(Cl)c1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13Cl2FO2/c16-11-4-2-5-13(8-11)20-9-12(19)7-10-3-1-6-14(18)15(10)17/h1-6,8,12,19H,7,9H2
InChIKeyPKIQIIBNHWNQOB-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
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1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol
CID 107308124
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol
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1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 105088994
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
CID 105081897
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol (CID 105124071) is 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol is OC(COc1cccc(Cl)c1)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol?
The InChIKey is PKIQIIBNHWNQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO2/c16-11-4-2-5-13(8-11)20-9-12(19)7-10-3-1-6-14(18)15(10)17/h1-6,8,12,19H,7,9H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol?
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol has a molecular weight of 315.17 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 105124071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).