2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol

C19H20O2 — CID 24879567

IUPAC2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H20O2/c1-2-13-21-16-19(20,14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h1,3-12,20H,13-16H2
InChIKeyUUYUFXDADQIEAZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.85
Rot. Bonds7

About 2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol

2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol (PubChem CID 24879567) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol.

Molecular Properties

Compound Name2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol
PubChem CID24879567
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H20O2/c1-2-13-21-16-19(20,14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h1,3-12,20H,13-16H2
InChIKeyUUYUFXDADQIEAZ-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol?
The IUPAC name of 2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol (CID 24879567) is 2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol.
What is the SMILES notation for 2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol?
The canonical SMILES for 2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol is C#CCOCC(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol?
The InChIKey is UUYUFXDADQIEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-13-21-16-19(20,14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h1,3-12,20H,13-16H2.
What are the key properties of 2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol?
2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol is sourced from PubChem (CID 24879567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).