4-(4-cyclohexylphenoxy)-2-propylphenol

C21H26O2 — CID 21466147

IUPAC4-(4-cyclohexylphenoxy)-2-propylphenol
SMILESCCCc1cc(Oc2ccc(C3CCCCC3)cc2)ccc1O
InChIInChI=1S/C21H26O2/c1-2-6-18-15-20(13-14-21(18)22)23-19-11-9-17(10-12-19)16-7-4-3-5-8-16/h9-16,22H,2-8H2,1H3
InChIKeyGJMLRRYLSTZGQN-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.18
Rot. Bonds5

About 4-(4-cyclohexylphenoxy)-2-propylphenol

4-(4-cyclohexylphenoxy)-2-propylphenol (PubChem CID 21466147) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(4-cyclohexylphenoxy)-2-propylphenol.

Molecular Properties

Compound Name4-(4-cyclohexylphenoxy)-2-propylphenol
PubChem CID21466147
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name4-(4-cyclohexylphenoxy)-2-propylphenol
SMILESCCCc1cc(Oc2ccc(C3CCCCC3)cc2)ccc1O
InChIInChI=1S/C21H26O2/c1-2-6-18-15-20(13-14-21(18)22)23-19-11-9-17(10-12-19)16-7-4-3-5-8-16/h9-16,22H,2-8H2,1H3
InChIKeyGJMLRRYLSTZGQN-UHFFFAOYSA-N
XLogP6.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-cyclohexylphenoxy)-2-propylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenoxy)-2-propylphenol?
The IUPAC name of 4-(4-cyclohexylphenoxy)-2-propylphenol (CID 21466147) is 4-(4-cyclohexylphenoxy)-2-propylphenol.
What is the SMILES notation for 4-(4-cyclohexylphenoxy)-2-propylphenol?
The canonical SMILES for 4-(4-cyclohexylphenoxy)-2-propylphenol is CCCc1cc(Oc2ccc(C3CCCCC3)cc2)ccc1O.
What is the InChIKey of 4-(4-cyclohexylphenoxy)-2-propylphenol?
The InChIKey is GJMLRRYLSTZGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-2-6-18-15-20(13-14-21(18)22)23-19-11-9-17(10-12-19)16-7-4-3-5-8-16/h9-16,22H,2-8H2,1H3.
What are the key properties of 4-(4-cyclohexylphenoxy)-2-propylphenol?
4-(4-cyclohexylphenoxy)-2-propylphenol has a molecular weight of 310.44 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenoxy)-2-propylphenol is sourced from PubChem (CID 21466147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).