2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol

C18H22Cl2N2O2 — CID 68710448

IUPAC2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol
SMILESCc1nn(C)c(Oc2cc(O)c(Cl)cc2Cl)c1CC1CCCCC1
InChIInChI=1S/C18H22Cl2N2O2/c1-11-13(8-12-6-4-3-5-7-12)18(22(2)21-11)24-17-10-16(23)14(19)9-15(17)20/h9-10,12,23H,3-8H2,1-2H3
InChIKeyIYPFUXHHVINUKL-UHFFFAOYSA-N
MW369.29 g/mol
LogP5.66
Rot. Bonds4

About 2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol

2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol (PubChem CID 68710448) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol.

Molecular Properties

Compound Name2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol
PubChem CID68710448
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol
SMILESCc1nn(C)c(Oc2cc(O)c(Cl)cc2Cl)c1CC1CCCCC1
InChIInChI=1S/C18H22Cl2N2O2/c1-11-13(8-12-6-4-3-5-7-12)18(22(2)21-11)24-17-10-16(23)14(19)9-15(17)20/h9-10,12,23H,3-8H2,1-2H3
InChIKeyIYPFUXHHVINUKL-UHFFFAOYSA-N
XLogP5.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.29
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol?
The IUPAC name of 2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol (CID 68710448) is 2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol.
What is the SMILES notation for 2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol?
The canonical SMILES for 2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol is Cc1nn(C)c(Oc2cc(O)c(Cl)cc2Cl)c1CC1CCCCC1.
What is the InChIKey of 2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol?
The InChIKey is IYPFUXHHVINUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c1-11-13(8-12-6-4-3-5-7-12)18(22(2)21-11)24-17-10-16(23)14(19)9-15(17)20/h9-10,12,23H,3-8H2,1-2H3.
What are the key properties of 2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol?
2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol has a molecular weight of 369.29 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol is sourced from PubChem (CID 68710448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).