1-(2,3-dichlorophenyl)propan-2-ol;methanol

C10H14Cl2O2 — CID 144705964

IUPAC1-(2,3-dichlorophenyl)propan-2-ol;methanol
SMILESCC(O)Cc1cccc(Cl)c1Cl.CO
InChIInChI=1S/C9H10Cl2O.CH4O/c1-6(12)5-7-3-2-4-8(10)9(7)11;1-2/h2-4,6,12H,5H2,1H3;2H,1H3
InChIKeyLSQSDBAASMLYHB-UHFFFAOYSA-N
MW237.13 g/mol
LogP2.53
Rot. Bonds2

About 1-(2,3-dichlorophenyl)propan-2-ol;methanol

1-(2,3-dichlorophenyl)propan-2-ol;methanol (PubChem CID 144705964) has the molecular formula C10H14Cl2O2 and a molecular weight of 237.13 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)propan-2-ol;methanol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)propan-2-ol;methanol
PubChem CID144705964
Molecular FormulaC10H14Cl2O2
Molecular Weight237.13 g/mol
Exact Mass236.04
IUPAC Name1-(2,3-dichlorophenyl)propan-2-ol;methanol
SMILESCC(O)Cc1cccc(Cl)c1Cl.CO
InChIInChI=1S/C9H10Cl2O.CH4O/c1-6(12)5-7-3-2-4-8(10)9(7)11;1-2/h2-4,6,12H,5H2,1H3;2H,1H3
InChIKeyLSQSDBAASMLYHB-UHFFFAOYSA-N
XLogP2.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dichlorophenyl)phenyl]propan-2-ol
CID 175278361
1-(2-chloro-3-methylphenyl)propan-2-ol
CID 117279944
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
CID 107312463
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
1,2-dichloro-3-[2-(1-chloroethyl)-3-methylbutyl]benzene
CID 107309498
3-bromo-4-(2,3-dichlorophenyl)butan-2-one
CID 62394098
1-(2,3-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 107308075
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
2-(2,3-dichlorophenyl)-1-(2-ethylphenyl)ethanol
CID 107307475

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)propan-2-ol;methanol?
The IUPAC name of 1-(2,3-dichlorophenyl)propan-2-ol;methanol (CID 144705964) is 1-(2,3-dichlorophenyl)propan-2-ol;methanol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)propan-2-ol;methanol?
The canonical SMILES for 1-(2,3-dichlorophenyl)propan-2-ol;methanol is CC(O)Cc1cccc(Cl)c1Cl.CO.
What is the InChIKey of 1-(2,3-dichlorophenyl)propan-2-ol;methanol?
The InChIKey is LSQSDBAASMLYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O.CH4O/c1-6(12)5-7-3-2-4-8(10)9(7)11;1-2/h2-4,6,12H,5H2,1H3;2H,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)propan-2-ol;methanol?
1-(2,3-dichlorophenyl)propan-2-ol;methanol has a molecular weight of 237.13 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)propan-2-ol;methanol is sourced from PubChem (CID 144705964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).