1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol

C15H14Cl2O2 — CID 107308124

IUPAC1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2O2/c16-14-8-4-5-11(15(14)17)9-12(18)10-19-13-6-2-1-3-7-13/h1-8,12,18H,9-10H2
InChIKeyLGBZNMTXIZWJIG-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.98
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol

1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol (PubChem CID 107308124) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol
PubChem CID107308124
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2O2/c16-14-8-4-5-11(15(14)17)9-12(18)10-19-13-6-2-1-3-7-13/h1-8,12,18H,9-10H2
InChIKeyLGBZNMTXIZWJIG-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol
CID 55104112
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol
CID 105124071
1,2-dichloro-3-(2-phenoxyethyl)benzene
CID 91220321
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
1-(4-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-ol
CID 105081523
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 107312517
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol (CID 107308124) is 1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol is OC(COc1ccccc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol?
The InChIKey is LGBZNMTXIZWJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c16-14-8-4-5-11(15(14)17)9-12(18)10-19-13-6-2-1-3-7-13/h1-8,12,18H,9-10H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol?
1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol has a molecular weight of 297.18 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol is sourced from PubChem (CID 107308124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).