2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol

C10H12ClFO — CID 83384505

IUPAC2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol
SMILESCc1ccc(Cl)c(C(C)(C)O)c1F
InChIInChI=1S/C10H12ClFO/c1-6-4-5-7(11)8(9(6)12)10(2,3)13/h4-5,13H,1-3H3
InChIKeyHQSUWXNOAKOSKV-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.01
Rot. Bonds1

About 2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol

2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol (PubChem CID 83384505) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol
PubChem CID83384505
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol
SMILESCc1ccc(Cl)c(C(C)(C)O)c1F
InChIInChI=1S/C10H12ClFO/c1-6-4-5-7(11)8(9(6)12)10(2,3)13/h4-5,13H,1-3H3
InChIKeyHQSUWXNOAKOSKV-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol?
The IUPAC name of 2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol (CID 83384505) is 2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol is Cc1ccc(Cl)c(C(C)(C)O)c1F.
What is the InChIKey of 2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol?
The InChIKey is HQSUWXNOAKOSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-6-4-5-7(11)8(9(6)12)10(2,3)13/h4-5,13H,1-3H3.
What are the key properties of 2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol?
2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol has a molecular weight of 202.66 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-fluoro-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 83384505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).