1-(2,4-dichlorophenyl)butan-2-ol;methanol

C11H16Cl2O2 — CID 144705825

IUPAC1-(2,4-dichlorophenyl)butan-2-ol;methanol
SMILESCCC(O)Cc1ccc(Cl)cc1Cl.CO
InChIInChI=1S/C10H12Cl2O.CH4O/c1-2-9(13)5-7-3-4-8(11)6-10(7)12;1-2/h3-4,6,9,13H,2,5H2,1H3;2H,1H3
InChIKeyKRICMPSRNQVQBL-UHFFFAOYSA-N
MW251.15 g/mol
LogP2.92
Rot. Bonds3

About 1-(2,4-dichlorophenyl)butan-2-ol;methanol

1-(2,4-dichlorophenyl)butan-2-ol;methanol (PubChem CID 144705825) has the molecular formula C11H16Cl2O2 and a molecular weight of 251.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)butan-2-ol;methanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)butan-2-ol;methanol
PubChem CID144705825
Molecular FormulaC11H16Cl2O2
Molecular Weight251.15 g/mol
Exact Mass250.05
IUPAC Name1-(2,4-dichlorophenyl)butan-2-ol;methanol
SMILESCCC(O)Cc1ccc(Cl)cc1Cl.CO
InChIInChI=1S/C10H12Cl2O.CH4O/c1-2-9(13)5-7-3-4-8(11)6-10(7)12;1-2/h3-4,6,9,13H,2,5H2,1H3;2H,1H3
InChIKeyKRICMPSRNQVQBL-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
(2R)-1-(2-amino-4-chlorophenyl)butan-2-ol
CID 67017142
1-(2,4-dichlorophenyl)-3-ethylpentan-2-ol
CID 65148381
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol
CID 63410443
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
1-(2,4-dichlorophenyl)hex-5-yn-2-ol
CID 63657112
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)butan-2-ol;methanol?
The IUPAC name of 1-(2,4-dichlorophenyl)butan-2-ol;methanol (CID 144705825) is 1-(2,4-dichlorophenyl)butan-2-ol;methanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)butan-2-ol;methanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)butan-2-ol;methanol is CCC(O)Cc1ccc(Cl)cc1Cl.CO.
What is the InChIKey of 1-(2,4-dichlorophenyl)butan-2-ol;methanol?
The InChIKey is KRICMPSRNQVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O.CH4O/c1-2-9(13)5-7-3-4-8(11)6-10(7)12;1-2/h3-4,6,9,13H,2,5H2,1H3;2H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)butan-2-ol;methanol?
1-(2,4-dichlorophenyl)butan-2-ol;methanol has a molecular weight of 251.15 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)butan-2-ol;methanol is sourced from PubChem (CID 144705825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).