4-(3,3-dimethoxy-3-phenylpropyl)phenol

C17H20O3 — CID 175486345

IUPAC4-(3,3-dimethoxy-3-phenylpropyl)phenol
SMILESCOC(CCc1ccc(O)cc1)(OC)c1ccccc1
InChIInChI=1S/C17H20O3/c1-19-17(20-2,15-6-4-3-5-7-15)13-12-14-8-10-16(18)11-9-14/h3-11,18H,12-13H2,1-2H3
InChIKeyYYQMPXQRQOALDX-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.47
Rot. Bonds6

About 4-(3,3-dimethoxy-3-phenylpropyl)phenol

4-(3,3-dimethoxy-3-phenylpropyl)phenol (PubChem CID 175486345) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(3,3-dimethoxy-3-phenylpropyl)phenol.

Molecular Properties

Compound Name4-(3,3-dimethoxy-3-phenylpropyl)phenol
PubChem CID175486345
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name4-(3,3-dimethoxy-3-phenylpropyl)phenol
SMILESCOC(CCc1ccc(O)cc1)(OC)c1ccccc1
InChIInChI=1S/C17H20O3/c1-19-17(20-2,15-6-4-3-5-7-15)13-12-14-8-10-16(18)11-9-14/h3-11,18H,12-13H2,1-2H3
InChIKeyYYQMPXQRQOALDX-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(3,3-dimethoxy-3-phenylpropyl)phenol 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-(3,3-dimethoxy-3-phenylpropyl)phenol?
The IUPAC name of 4-(3,3-dimethoxy-3-phenylpropyl)phenol (CID 175486345) is 4-(3,3-dimethoxy-3-phenylpropyl)phenol.
What is the SMILES notation for 4-(3,3-dimethoxy-3-phenylpropyl)phenol?
The canonical SMILES for 4-(3,3-dimethoxy-3-phenylpropyl)phenol is COC(CCc1ccc(O)cc1)(OC)c1ccccc1.
What is the InChIKey of 4-(3,3-dimethoxy-3-phenylpropyl)phenol?
The InChIKey is YYQMPXQRQOALDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-19-17(20-2,15-6-4-3-5-7-15)13-12-14-8-10-16(18)11-9-14/h3-11,18H,12-13H2,1-2H3.
What are the key properties of 4-(3,3-dimethoxy-3-phenylpropyl)phenol?
4-(3,3-dimethoxy-3-phenylpropyl)phenol has a molecular weight of 272.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethoxy-3-phenylpropyl)phenol is sourced from PubChem (CID 175486345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).