4-chloro-2-methyl-5-propan-2-ylphenol

C10H13ClO — CID 21874

IUPAC4-chloro-2-methyl-5-propan-2-ylphenol
SMILESCc1cc(Cl)c(C(C)C)cc1O
InChIInChI=1S/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3
InChIKeyAFFXNOIULZQAML-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.48
Rot. Bonds1

About 4-chloro-2-methyl-5-propan-2-ylphenol

4-chloro-2-methyl-5-propan-2-ylphenol (PubChem CID 21874) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-chloro-2-methyl-5-propan-2-ylphenol
PubChem CID21874
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name4-chloro-2-methyl-5-propan-2-ylphenol
SMILESCc1cc(Cl)c(C(C)C)cc1O
InChIInChI=1S/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3
InChIKeyAFFXNOIULZQAML-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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-propan-2-ylphenol?
The IUPAC name of 4-chloro-2-methyl-5-propan-2-ylphenol (CID 21874) is 4-chloro-2-methyl-5-propan-2-ylphenol.
What is the SMILES notation for 4-chloro-2-methyl-5-propan-2-ylphenol?
The canonical SMILES for 4-chloro-2-methyl-5-propan-2-ylphenol is Cc1cc(Cl)c(C(C)C)cc1O.
What is the InChIKey of 4-chloro-2-methyl-5-propan-2-ylphenol?
The InChIKey is AFFXNOIULZQAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-propan-2-ylphenol?
4-chloro-2-methyl-5-propan-2-ylphenol has a molecular weight of 184.67 g/mol, XLogP of 3.48, 1 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-propan-2-ylphenol is sourced from PubChem (CID 21874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).