4-chloro-2-methyl-5-propylphenol

C10H13ClO — CID 69382890

IUPAC4-chloro-2-methyl-5-propylphenol
SMILESCCCc1cc(O)c(C)cc1Cl
InChIInChI=1S/C10H13ClO/c1-3-4-8-6-10(12)7(2)5-9(8)11/h5-6,12H,3-4H2,1-2H3
InChIKeyMJURKBOYCIRRON-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.31
Rot. Bonds2

About 4-chloro-2-methyl-5-propylphenol

4-chloro-2-methyl-5-propylphenol (PubChem CID 69382890) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-propylphenol.

Molecular Properties

Compound Name4-chloro-2-methyl-5-propylphenol
PubChem CID69382890
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name4-chloro-2-methyl-5-propylphenol
SMILESCCCc1cc(O)c(C)cc1Cl
InChIInChI=1S/C10H13ClO/c1-3-4-8-6-10(12)7(2)5-9(8)11/h5-6,12H,3-4H2,1-2H3
InChIKeyMJURKBOYCIRRON-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-propylphenol?
The IUPAC name of 4-chloro-2-methyl-5-propylphenol (CID 69382890) is 4-chloro-2-methyl-5-propylphenol.
What is the SMILES notation for 4-chloro-2-methyl-5-propylphenol?
The canonical SMILES for 4-chloro-2-methyl-5-propylphenol is CCCc1cc(O)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-propylphenol?
The InChIKey is MJURKBOYCIRRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-3-4-8-6-10(12)7(2)5-9(8)11/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-propylphenol?
4-chloro-2-methyl-5-propylphenol has a molecular weight of 184.67 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-propylphenol is sourced from PubChem (CID 69382890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).