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

C11H14Cl2O — CID 62789609

IUPAC1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2O/c1-7(2)6-10(14)8-4-3-5-9(12)11(8)13/h3-5,7,10,14H,6H2,1-2H3
InChIKeyWQAPDOPLXXGTJN-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.07
Rot. Bonds3

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

1-(2,3-dichlorophenyl)-3-methylbutan-1-ol (PubChem CID 62789609) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
PubChem CID62789609
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2O/c1-7(2)6-10(14)8-4-3-5-9(12)11(8)13/h3-5,7,10,14H,6H2,1-2H3
InChIKeyWQAPDOPLXXGTJN-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride
CID 171162648
[1-(2,3-dichlorophenyl)-3-methylbutyl]hydrazine
CID 105198986
2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol
CID 65187721
5-(2,3-dichlorophenyl)hexane-2,3-diol
CID 83924753
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
1-(2,3-dichlorophenyl)-2-(4-methylphenyl)ethanol
CID 62790994
(1S,3S)-3-amino-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237305
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770439
6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
CID 81422224
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-methylbutan-1-ol (CID 62789609) is 1-(2,3-dichlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-methylbutan-1-ol is CC(C)CC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-methylbutan-1-ol?
The InChIKey is WQAPDOPLXXGTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-7(2)6-10(14)8-4-3-5-9(12)11(8)13/h3-5,7,10,14H,6H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-methylbutan-1-ol?
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol has a molecular weight of 233.14 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 62789609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).