2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol

C14H20O3 — CID 84699476

IUPAC2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol
SMILESCC1(COc2ccc(C(C)(C)O)cc2)COC1
InChIInChI=1S/C14H20O3/c1-13(2,15)11-4-6-12(7-5-11)17-10-14(3)8-16-9-14/h4-7,15H,8-10H2,1-3H3
InChIKeyQPZYFWWVIIEXOI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.33
Rot. Bonds4

About 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol

2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol (PubChem CID 84699476) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol
PubChem CID84699476
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol
SMILESCC1(COc2ccc(C(C)(C)O)cc2)COC1
InChIInChI=1S/C14H20O3/c1-13(2,15)11-4-6-12(7-5-11)17-10-14(3)8-16-9-14/h4-7,15H,8-10H2,1-3H3
InChIKeyQPZYFWWVIIEXOI-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-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 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol (CID 84699476) is 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol is CC1(COc2ccc(C(C)(C)O)cc2)COC1.
What is the InChIKey of 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol?
The InChIKey is QPZYFWWVIIEXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-13(2,15)11-4-6-12(7-5-11)17-10-14(3)8-16-9-14/h4-7,15H,8-10H2,1-3H3.
What are the key properties of 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol?
2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol is sourced from PubChem (CID 84699476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).