4-(2,4-dimethylcyclopentyl)oxyphenol

C13H18O2 — CID 159978575

IUPAC4-(2,4-dimethylcyclopentyl)oxyphenol
SMILESCC1CC(C)C(Oc2ccc(O)cc2)C1
InChIInChI=1S/C13H18O2/c1-9-7-10(2)13(8-9)15-12-5-3-11(14)4-6-12/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyWRJVDDUMKQRCRK-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.21
Rot. Bonds2

About 4-(2,4-dimethylcyclopentyl)oxyphenol

4-(2,4-dimethylcyclopentyl)oxyphenol (PubChem CID 159978575) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-(2,4-dimethylcyclopentyl)oxyphenol.

Molecular Properties

Compound Name4-(2,4-dimethylcyclopentyl)oxyphenol
PubChem CID159978575
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-(2,4-dimethylcyclopentyl)oxyphenol
SMILESCC1CC(C)C(Oc2ccc(O)cc2)C1
InChIInChI=1S/C13H18O2/c1-9-7-10(2)13(8-9)15-12-5-3-11(14)4-6-12/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyWRJVDDUMKQRCRK-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-dimethylcyclopentyl)oxyphenol with MolForge

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

Launch Full Analysis

Related Compounds

Monobenzone
CID 7638
4-Ethoxyphenol
CID 12150
4-Hexyloxyphenol
CID 29354
p-Pentyloxyphenol
CID 29353
4-(Heptyloxy)phenol
CID 25641
4-Propoxyphenol
CID 29352
4-Butoxyphenol
CID 31233
4-Isopropoxyphenol
CID 82001
Phenol, 4-(octyloxy)-
CID 77412
4-(4-Ethoxyphenoxy)phenol
CID 23455591
4-(4-Propoxyphenoxy)phenol
CID 44562813
p-Tert-butoxyphenol
CID 2773621

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylcyclopentyl)oxyphenol?
The IUPAC name of 4-(2,4-dimethylcyclopentyl)oxyphenol (CID 159978575) is 4-(2,4-dimethylcyclopentyl)oxyphenol.
What is the SMILES notation for 4-(2,4-dimethylcyclopentyl)oxyphenol?
The canonical SMILES for 4-(2,4-dimethylcyclopentyl)oxyphenol is CC1CC(C)C(Oc2ccc(O)cc2)C1.
What is the InChIKey of 4-(2,4-dimethylcyclopentyl)oxyphenol?
The InChIKey is WRJVDDUMKQRCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-7-10(2)13(8-9)15-12-5-3-11(14)4-6-12/h3-6,9-10,13-14H,7-8H2,1-2H3.
What are the key properties of 4-(2,4-dimethylcyclopentyl)oxyphenol?
4-(2,4-dimethylcyclopentyl)oxyphenol has a molecular weight of 206.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylcyclopentyl)oxyphenol is sourced from PubChem (CID 159978575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).