3-methoxy-4,5,5-triphenylpentane-1,3,4-triol

C24H26O4 — CID 67817845

IUPAC3-methoxy-4,5,5-triphenylpentane-1,3,4-triol
SMILESCOC(O)(CCO)C(O)(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O4/c1-28-23(26,17-18-25)24(27,21-15-9-4-10-16-21)22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22,25-27H,17-18H2,1H3
InChIKeyKLFDAYHCZJEQBZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.42
Rot. Bonds8

About 3-methoxy-4,5,5-triphenylpentane-1,3,4-triol

3-methoxy-4,5,5-triphenylpentane-1,3,4-triol (PubChem CID 67817845) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-methoxy-4,5,5-triphenylpentane-1,3,4-triol.

Molecular Properties

Compound Name3-methoxy-4,5,5-triphenylpentane-1,3,4-triol
PubChem CID67817845
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name3-methoxy-4,5,5-triphenylpentane-1,3,4-triol
SMILESCOC(O)(CCO)C(O)(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O4/c1-28-23(26,17-18-25)24(27,21-15-9-4-10-16-21)22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22,25-27H,17-18H2,1H3
InChIKeyKLFDAYHCZJEQBZ-UHFFFAOYSA-N
XLogP3.42
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.42
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 3-methoxy-4,5,5-triphenylpentane-1,3,4-triol?
The IUPAC name of 3-methoxy-4,5,5-triphenylpentane-1,3,4-triol (CID 67817845) is 3-methoxy-4,5,5-triphenylpentane-1,3,4-triol.
What is the SMILES notation for 3-methoxy-4,5,5-triphenylpentane-1,3,4-triol?
The canonical SMILES for 3-methoxy-4,5,5-triphenylpentane-1,3,4-triol is COC(O)(CCO)C(O)(c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methoxy-4,5,5-triphenylpentane-1,3,4-triol?
The InChIKey is KLFDAYHCZJEQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-28-23(26,17-18-25)24(27,21-15-9-4-10-16-21)22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22,25-27H,17-18H2,1H3.
What are the key properties of 3-methoxy-4,5,5-triphenylpentane-1,3,4-triol?
3-methoxy-4,5,5-triphenylpentane-1,3,4-triol has a molecular weight of 378.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4,5,5-triphenylpentane-1,3,4-triol is sourced from PubChem (CID 67817845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).