4-(4-propan-2-ylphenyl)oxepan-4-ol

C15H22O2 — CID 65081084

IUPAC4-(4-propan-2-ylphenyl)oxepan-4-ol
SMILESCC(C)c1ccc(C2(O)CCCOCC2)cc1
InChIInChI=1S/C15H22O2/c1-12(2)13-4-6-14(7-5-13)15(16)8-3-10-17-11-9-15/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyRIMZLVGMCSACDB-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.20
Rot. Bonds2

About 4-(4-propan-2-ylphenyl)oxepan-4-ol

4-(4-propan-2-ylphenyl)oxepan-4-ol (PubChem CID 65081084) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)oxepan-4-ol.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)oxepan-4-ol
PubChem CID65081084
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(4-propan-2-ylphenyl)oxepan-4-ol
SMILESCC(C)c1ccc(C2(O)CCCOCC2)cc1
InChIInChI=1S/C15H22O2/c1-12(2)13-4-6-14(7-5-13)15(16)8-3-10-17-11-9-15/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyRIMZLVGMCSACDB-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-propan-2-ylphenyl)oxepan-4-ol 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-propan-2-ylphenyl)oxepan-4-ol?
The IUPAC name of 4-(4-propan-2-ylphenyl)oxepan-4-ol (CID 65081084) is 4-(4-propan-2-ylphenyl)oxepan-4-ol.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)oxepan-4-ol?
The canonical SMILES for 4-(4-propan-2-ylphenyl)oxepan-4-ol is CC(C)c1ccc(C2(O)CCCOCC2)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)oxepan-4-ol?
The InChIKey is RIMZLVGMCSACDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(2)13-4-6-14(7-5-13)15(16)8-3-10-17-11-9-15/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylphenyl)oxepan-4-ol?
4-(4-propan-2-ylphenyl)oxepan-4-ol has a molecular weight of 234.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)oxepan-4-ol is sourced from PubChem (CID 65081084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).