2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol

C11H14ClFO — CID 117308733

IUPAC2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol
SMILESCCc1cc(C(C)(C)O)cc(Cl)c1F
InChIInChI=1S/C11H14ClFO/c1-4-7-5-8(11(2,3)14)6-9(12)10(7)13/h5-6,14H,4H2,1-3H3
InChIKeyBFCDMMIMOIEIAI-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.27
Rot. Bonds2

About 2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol

2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol (PubChem CID 117308733) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol
PubChem CID117308733
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol
SMILESCCc1cc(C(C)(C)O)cc(Cl)c1F
InChIInChI=1S/C11H14ClFO/c1-4-7-5-8(11(2,3)14)6-9(12)10(7)13/h5-6,14H,4H2,1-3H3
InChIKeyBFCDMMIMOIEIAI-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol (CID 117308733) is 2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol is CCc1cc(C(C)(C)O)cc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol?
The InChIKey is BFCDMMIMOIEIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-4-7-5-8(11(2,3)14)6-9(12)10(7)13/h5-6,14H,4H2,1-3H3.
What are the key properties of 2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol?
2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol has a molecular weight of 216.68 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 117308733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).