2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol

C11H15ClO — CID 117288137

IUPAC2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
SMILESCc1c(Cl)cccc1C(C)(C)CO
InChIInChI=1S/C11H15ClO/c1-8-9(11(2,3)7-13)5-4-6-10(8)12/h4-6,13H,7H2,1-3H3
InChIKeyAGBBIFLEMNUTPZ-UHFFFAOYSA-N
MW198.69 g/mol
LogP2.92
Rot. Bonds2

About 2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol

2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117288137) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
PubChem CID117288137
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
SMILESCc1c(Cl)cccc1C(C)(C)CO
InChIInChI=1S/C11H15ClO/c1-8-9(11(2,3)7-13)5-4-6-10(8)12/h4-6,13H,7H2,1-3H3
InChIKeyAGBBIFLEMNUTPZ-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol
CID 97294320
2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 67918759
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
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2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 91657388
1,3-diamino-2-(3-chloro-2-methylphenyl)propan-2-ol
CID 57039824
2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
CID 117288132
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 113351322
2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol
CID 117311196
2-[2-(2-methoxypropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117113629
2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117344265
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol (CID 117288137) is 2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol is Cc1c(Cl)cccc1C(C)(C)CO.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is AGBBIFLEMNUTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-8-9(11(2,3)7-13)5-4-6-10(8)12/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol?
2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 198.69 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117288137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).