1-(3,5-dichlorophenyl)butan-2-ol

C10H12Cl2O — CID 71163653

IUPAC1-(3,5-dichlorophenyl)butan-2-ol
SMILESCCC(O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2O/c1-2-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6,10,13H,2,5H2,1H3
InChIKeyNNFBQCOZSOIIJX-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.31
Rot. Bonds3

About 1-(3,5-dichlorophenyl)butan-2-ol

1-(3,5-dichlorophenyl)butan-2-ol (PubChem CID 71163653) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)butan-2-ol
PubChem CID71163653
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name1-(3,5-dichlorophenyl)butan-2-ol
SMILESCCC(O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2O/c1-2-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6,10,13H,2,5H2,1H3
InChIKeyNNFBQCOZSOIIJX-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
2-[(3,5-dichlorophenyl)methyl]pentan-1-ol
CID 78018332
2-bromo-1-(3,5-dichlorophenyl)pentan-3-one
CID 62395360
(2R)-1-(2-amino-4-chlorophenyl)butan-2-ol
CID 67017142
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 114015751
1-(3-ethylphenyl)butan-2-ol
CID 91658604
4-[(2S)-2-hydroxybutyl]benzene-1,2-diol
CID 130427556
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
pentan-3-ol
CID 11428

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)butan-2-ol?
The IUPAC name of 1-(3,5-dichlorophenyl)butan-2-ol (CID 71163653) is 1-(3,5-dichlorophenyl)butan-2-ol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)butan-2-ol?
The canonical SMILES for 1-(3,5-dichlorophenyl)butan-2-ol is CCC(O)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)butan-2-ol?
The InChIKey is NNFBQCOZSOIIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-2-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6,10,13H,2,5H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)butan-2-ol?
1-(3,5-dichlorophenyl)butan-2-ol has a molecular weight of 219.11 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)butan-2-ol is sourced from PubChem (CID 71163653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).