2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol

C12H17ClO — CID 66060666

IUPAC2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Cc1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-3-12(2,9-14)8-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyVVTCZNWCLFXIOU-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.29
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol

2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol (PubChem CID 66060666) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
PubChem CID66060666
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Cc1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-3-12(2,9-14)8-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyVVTCZNWCLFXIOU-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
CID 79452940
2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509342
N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301
2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine
CID 84723815
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol
CID 106506462
N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine
CID 115920215
3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62725326
2-methyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 66025238
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
CID 53441221
3-[1-(2-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-4-methylbenzene-1,2-diol
CID 89325784
2-[(2-chloro-4-fluorophenyl)methyl]-2-methylpentan-1-ol
CID 66025240

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol (CID 66060666) is 2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol is CCC(C)(CO)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol?
The InChIKey is VVTCZNWCLFXIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-3-12(2,9-14)8-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol?
2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol has a molecular weight of 212.72 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 66060666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).