(6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone

C20H17NO2 — CID 18182278

IUPAC(6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone
SMILESCc1ccc(OCc2ccccc2)c(C(=O)c2ccccc2)n1
InChIInChI=1S/C20H17NO2/c1-15-12-13-18(23-14-16-8-4-2-5-9-16)19(21-15)20(22)17-10-6-3-7-11-17/h2-13H,14H2,1H3
InChIKeyKZLPIUDCNJSSJD-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.20
Rot. Bonds5

About (6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone

(6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone (PubChem CID 18182278) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone
PubChem CID18182278
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone
SMILESCc1ccc(OCc2ccccc2)c(C(=O)c2ccccc2)n1
InChIInChI=1S/C20H17NO2/c1-15-12-13-18(23-14-16-8-4-2-5-9-16)19(21-15)20(22)17-10-6-3-7-11-17/h2-13H,14H2,1H3
InChIKeyKZLPIUDCNJSSJD-UHFFFAOYSA-N
XLogP4.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone?
The IUPAC name of (6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone (CID 18182278) is (6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone.
What is the SMILES notation for (6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone?
The canonical SMILES for (6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone is Cc1ccc(OCc2ccccc2)c(C(=O)c2ccccc2)n1.
What is the InChIKey of (6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone?
The InChIKey is KZLPIUDCNJSSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-15-12-13-18(23-14-16-8-4-2-5-9-16)19(21-15)20(22)17-10-6-3-7-11-17/h2-13H,14H2,1H3.
What are the key properties of (6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone?
(6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone has a molecular weight of 303.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-phenylmethoxy-2-pyridinyl)-phenylmethanone is sourced from PubChem (CID 18182278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).