(2-benzhydryl-3-pyridinyl) acetate

C20H17NO2 — CID 125491786

IUPAC(2-benzhydryl-3-pyridinyl) acetate
SMILESCC(=O)Oc1cccnc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO2/c1-15(22)23-18-13-8-14-21-20(18)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,19H,1H3
InChIKeyKGVJXTHHNLGBTL-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.19
Rot. Bonds4

About (2-benzhydryl-3-pyridinyl) acetate

(2-benzhydryl-3-pyridinyl) acetate (PubChem CID 125491786) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2-benzhydryl-3-pyridinyl) acetate.

Molecular Properties

Compound Name(2-benzhydryl-3-pyridinyl) acetate
PubChem CID125491786
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(2-benzhydryl-3-pyridinyl) acetate
SMILESCC(=O)Oc1cccnc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO2/c1-15(22)23-18-13-8-14-21-20(18)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,19H,1H3
InChIKeyKGVJXTHHNLGBTL-UHFFFAOYSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzhydryl-3-pyridinyl) acetate?
The IUPAC name of (2-benzhydryl-3-pyridinyl) acetate (CID 125491786) is (2-benzhydryl-3-pyridinyl) acetate.
What is the SMILES notation for (2-benzhydryl-3-pyridinyl) acetate?
The canonical SMILES for (2-benzhydryl-3-pyridinyl) acetate is CC(=O)Oc1cccnc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzhydryl-3-pyridinyl) acetate?
The InChIKey is KGVJXTHHNLGBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-15(22)23-18-13-8-14-21-20(18)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,19H,1H3.
What are the key properties of (2-benzhydryl-3-pyridinyl) acetate?
(2-benzhydryl-3-pyridinyl) acetate has a molecular weight of 303.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzhydryl-3-pyridinyl) acetate is sourced from PubChem (CID 125491786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).