3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol

C22H22O3 — CID 10544702

IUPAC3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol
SMILESOCCCOc1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3/c23-16-9-17-25-21-15-8-7-14-20(21)22(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-8,10-15,23-24H,9,16-17H2
InChIKeyUWKMJUKOJXPMHV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.73
Rot. Bonds7

About 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol

3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol (PubChem CID 10544702) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol
PubChem CID10544702
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol
SMILESOCCCOc1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3/c23-16-9-17-25-21-15-8-7-14-20(21)22(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-8,10-15,23-24H,9,16-17H2
InChIKeyUWKMJUKOJXPMHV-UHFFFAOYSA-N
XLogP3.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol?
The IUPAC name of 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol (CID 10544702) is 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol is OCCCOc1ccccc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol?
The InChIKey is UWKMJUKOJXPMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c23-16-9-17-25-21-15-8-7-14-20(21)22(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-8,10-15,23-24H,9,16-17H2.
What are the key properties of 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol?
3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol has a molecular weight of 334.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol is sourced from PubChem (CID 10544702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).