1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol

C12H17ClO — CID 114980469

IUPAC1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)C(O)c1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-8(2)9(3)12(14)10-6-4-5-7-11(10)13/h4-9,12,14H,1-3H3
InChIKeyMFWOVMGIOIXWOT-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.67
Rot. Bonds3

About 1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol

1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol (PubChem CID 114980469) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
PubChem CID114980469
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)C(O)c1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-8(2)9(3)12(14)10-6-4-5-7-11(10)13/h4-9,12,14H,1-3H3
InChIKeyMFWOVMGIOIXWOT-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11846439
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
1-(2-chlorophenyl)-2-methylpentan-1-ol
CID 63902435
1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 115795995
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 115801757

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol (CID 114980469) is 1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol is CC(C)C(C)C(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol?
The InChIKey is MFWOVMGIOIXWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-8(2)9(3)12(14)10-6-4-5-7-11(10)13/h4-9,12,14H,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol?
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol has a molecular weight of 212.72 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 114980469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).