1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol

C15H13Cl2FO2 — CID 102867534

IUPAC1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H13Cl2FO2/c16-11-4-6-13(7-5-11)20-9-12(19)8-10-2-1-3-14(17)15(10)18/h1-7,12,19H,8-9H2
InChIKeyJFCFCNOYLYHRBM-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.11
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol

1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol (PubChem CID 102867534) has the molecular formula C15H13Cl2FO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
PubChem CID102867534
Molecular FormulaC15H13Cl2FO2
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H13Cl2FO2/c16-11-4-6-13(7-5-11)20-9-12(19)8-10-2-1-3-14(17)15(10)18/h1-7,12,19H,8-9H2
InChIKeyJFCFCNOYLYHRBM-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-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol
CID 105124071
1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol
CID 107308124
1-(4-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-ol
CID 105081523
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039694
1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol
CID 55104112
1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920732
1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126618
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(3-chloro-2-fluorophenyl)hex-4-yn-2-ol
CID 82802719

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol (CID 102867534) is 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol is OC(COc1ccc(Cl)cc1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol?
The InChIKey is JFCFCNOYLYHRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO2/c16-11-4-6-13(7-5-11)20-9-12(19)8-10-2-1-3-14(17)15(10)18/h1-7,12,19H,8-9H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol?
1-(3-chloro-2-fluorophenyl)-3-(4-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-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 102867534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).