2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol

C11H14ClFO — CID 117308731

IUPAC2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol
SMILESCc1cc(Cl)c(F)c(C(C)(C)O)c1C
InChIInChI=1S/C11H14ClFO/c1-6-5-8(12)10(13)9(7(6)2)11(3,4)14/h5,14H,1-4H3
InChIKeyMWZBWNDFKOKBHS-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.32
Rot. Bonds1

About 2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol

2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol (PubChem CID 117308731) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol
PubChem CID117308731
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol
SMILESCc1cc(Cl)c(F)c(C(C)(C)O)c1C
InChIInChI=1S/C11H14ClFO/c1-6-5-8(12)10(13)9(7(6)2)11(3,4)14/h5,14H,1-4H3
InChIKeyMWZBWNDFKOKBHS-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol?
The IUPAC name of 2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol (CID 117308731) is 2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol?
The canonical SMILES for 2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol is Cc1cc(Cl)c(F)c(C(C)(C)O)c1C.
What is the InChIKey of 2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol?
The InChIKey is MWZBWNDFKOKBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-6-5-8(12)10(13)9(7(6)2)11(3,4)14/h5,14H,1-4H3.
What are the key properties of 2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol?
2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol has a molecular weight of 216.68 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 117308731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).