4-methoxy-1,2-diphenylpentane-1,1,2-triol

C18H22O4 — CID 175111370

IUPAC4-methoxy-1,2-diphenylpentane-1,1,2-triol
SMILESCOC(C)CC(O)(c1ccccc1)C(O)(O)c1ccccc1
InChIInChI=1S/C18H22O4/c1-14(22-2)13-17(19,15-9-5-3-6-10-15)18(20,21)16-11-7-4-8-12-16/h3-12,14,19-21H,13H2,1-2H3
InChIKeyIJLIQJDJEHBANW-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.14
Rot. Bonds6

About 4-methoxy-1,2-diphenylpentane-1,1,2-triol

4-methoxy-1,2-diphenylpentane-1,1,2-triol (PubChem CID 175111370) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-methoxy-1,2-diphenylpentane-1,1,2-triol.

Molecular Properties

Compound Name4-methoxy-1,2-diphenylpentane-1,1,2-triol
PubChem CID175111370
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name4-methoxy-1,2-diphenylpentane-1,1,2-triol
SMILESCOC(C)CC(O)(c1ccccc1)C(O)(O)c1ccccc1
InChIInChI=1S/C18H22O4/c1-14(22-2)13-17(19,15-9-5-3-6-10-15)18(20,21)16-11-7-4-8-12-16/h3-12,14,19-21H,13H2,1-2H3
InChIKeyIJLIQJDJEHBANW-UHFFFAOYSA-N
XLogP2.14
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,2-diphenylpentane-1,1,2-triol?
The IUPAC name of 4-methoxy-1,2-diphenylpentane-1,1,2-triol (CID 175111370) is 4-methoxy-1,2-diphenylpentane-1,1,2-triol.
What is the SMILES notation for 4-methoxy-1,2-diphenylpentane-1,1,2-triol?
The canonical SMILES for 4-methoxy-1,2-diphenylpentane-1,1,2-triol is COC(C)CC(O)(c1ccccc1)C(O)(O)c1ccccc1.
What is the InChIKey of 4-methoxy-1,2-diphenylpentane-1,1,2-triol?
The InChIKey is IJLIQJDJEHBANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-14(22-2)13-17(19,15-9-5-3-6-10-15)18(20,21)16-11-7-4-8-12-16/h3-12,14,19-21H,13H2,1-2H3.
What are the key properties of 4-methoxy-1,2-diphenylpentane-1,1,2-triol?
4-methoxy-1,2-diphenylpentane-1,1,2-triol has a molecular weight of 302.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2-diphenylpentane-1,1,2-triol is sourced from PubChem (CID 175111370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).