2-(3,4-dichlorophenyl)-3-methylbutan-1-ol

C11H14Cl2O — CID 82082656

IUPAC2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2O/c1-7(2)9(6-14)8-3-4-10(12)11(13)5-8/h3-5,7,9,14H,6H2,1-2H3
InChIKeyWIVRQYDNCAALNE-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.73
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-3-methylbutan-1-ol

2-(3,4-dichlorophenyl)-3-methylbutan-1-ol (PubChem CID 82082656) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
PubChem CID82082656
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2O/c1-7(2)9(6-14)8-3-4-10(12)11(13)5-8/h3-5,7,9,14H,6H2,1-2H3
InChIKeyWIVRQYDNCAALNE-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
4-(3,4-dichlorophenyl)pentane-1,2-diol
CID 83931310
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115722751
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-methylbutan-1-ol (CID 82082656) is 2-(3,4-dichlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-methylbutan-1-ol is CC(C)C(CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
The InChIKey is WIVRQYDNCAALNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-7(2)9(6-14)8-3-4-10(12)11(13)5-8/h3-5,7,9,14H,6H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
2-(3,4-dichlorophenyl)-3-methylbutan-1-ol has a molecular weight of 233.14 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82082656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).