3-[tris(2-methylphenyl)methoxy]propan-1-ol

C25H28O2 — CID 67427330

IUPAC3-[tris(2-methylphenyl)methoxy]propan-1-ol
SMILESCc1ccccc1C(OCCCO)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C25H28O2/c1-19-11-4-7-14-22(19)25(27-18-10-17-26,23-15-8-5-12-20(23)2)24-16-9-6-13-21(24)3/h4-9,11-16,26H,10,17-18H2,1-3H3
InChIKeyBSJANHOIJXQRLS-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.30
Rot. Bonds7

About 3-[tris(2-methylphenyl)methoxy]propan-1-ol

3-[tris(2-methylphenyl)methoxy]propan-1-ol (PubChem CID 67427330) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-[tris(2-methylphenyl)methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[tris(2-methylphenyl)methoxy]propan-1-ol
PubChem CID67427330
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name3-[tris(2-methylphenyl)methoxy]propan-1-ol
SMILESCc1ccccc1C(OCCCO)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C25H28O2/c1-19-11-4-7-14-22(19)25(27-18-10-17-26,23-15-8-5-12-20(23)2)24-16-9-6-13-21(24)3/h4-9,11-16,26H,10,17-18H2,1-3H3
InChIKeyBSJANHOIJXQRLS-UHFFFAOYSA-N
XLogP5.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tris(2-methylphenyl)methoxy]propan-1-ol?
The IUPAC name of 3-[tris(2-methylphenyl)methoxy]propan-1-ol (CID 67427330) is 3-[tris(2-methylphenyl)methoxy]propan-1-ol.
What is the SMILES notation for 3-[tris(2-methylphenyl)methoxy]propan-1-ol?
The canonical SMILES for 3-[tris(2-methylphenyl)methoxy]propan-1-ol is Cc1ccccc1C(OCCCO)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of 3-[tris(2-methylphenyl)methoxy]propan-1-ol?
The InChIKey is BSJANHOIJXQRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-19-11-4-7-14-22(19)25(27-18-10-17-26,23-15-8-5-12-20(23)2)24-16-9-6-13-21(24)3/h4-9,11-16,26H,10,17-18H2,1-3H3.
What are the key properties of 3-[tris(2-methylphenyl)methoxy]propan-1-ol?
3-[tris(2-methylphenyl)methoxy]propan-1-ol has a molecular weight of 360.50 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris(2-methylphenyl)methoxy]propan-1-ol is sourced from PubChem (CID 67427330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).