4-chloro-2-ethyl-3,5-dimethylphenol

C10H13ClO — CID 15007724

IUPAC4-chloro-2-ethyl-3,5-dimethylphenol
SMILESCCc1c(O)cc(C)c(Cl)c1C
InChIInChI=1S/C10H13ClO/c1-4-8-7(3)10(11)6(2)5-9(8)12/h5,12H,4H2,1-3H3
InChIKeyWBQFGBDPSGGESL-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.22
Rot. Bonds1

About 4-chloro-2-ethyl-3,5-dimethylphenol

4-chloro-2-ethyl-3,5-dimethylphenol (PubChem CID 15007724) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-chloro-2-ethyl-3,5-dimethylphenol.

Molecular Properties

Compound Name4-chloro-2-ethyl-3,5-dimethylphenol
PubChem CID15007724
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name4-chloro-2-ethyl-3,5-dimethylphenol
SMILESCCc1c(O)cc(C)c(Cl)c1C
InChIInChI=1S/C10H13ClO/c1-4-8-7(3)10(11)6(2)5-9(8)12/h5,12H,4H2,1-3H3
InChIKeyWBQFGBDPSGGESL-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-3,5-dimethylphenol?
The IUPAC name of 4-chloro-2-ethyl-3,5-dimethylphenol (CID 15007724) is 4-chloro-2-ethyl-3,5-dimethylphenol.
What is the SMILES notation for 4-chloro-2-ethyl-3,5-dimethylphenol?
The canonical SMILES for 4-chloro-2-ethyl-3,5-dimethylphenol is CCc1c(O)cc(C)c(Cl)c1C.
What is the InChIKey of 4-chloro-2-ethyl-3,5-dimethylphenol?
The InChIKey is WBQFGBDPSGGESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-4-8-7(3)10(11)6(2)5-9(8)12/h5,12H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-3,5-dimethylphenol?
4-chloro-2-ethyl-3,5-dimethylphenol has a molecular weight of 184.67 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-3,5-dimethylphenol is sourced from PubChem (CID 15007724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).