(2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone

C22H17NO2 — CID 2326958

IUPAC(2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H17NO2/c1-16-15-18-7-5-6-14-23(18)21(16)22(24)17-10-12-20(13-11-17)25-19-8-3-2-4-9-19/h2-15H,1H3
InChIKeyOTUBBHPMNDPHBK-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.27
Rot. Bonds4

About (2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone

(2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone (PubChem CID 2326958) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone
PubChem CID2326958
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name(2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H17NO2/c1-16-15-18-7-5-6-14-23(18)21(16)22(24)17-10-12-20(13-11-17)25-19-8-3-2-4-9-19/h2-15H,1H3
InChIKeyOTUBBHPMNDPHBK-UHFFFAOYSA-N
XLogP5.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyindolizin-3-yl)-phenylmethanone
CID 156847197
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one
CID 162082099
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899
[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
CID 12844816
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
(NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide
CID 75363141
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353

Frequently Asked Questions

What is the IUPAC name of (2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone (CID 2326958) is (2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone is Cc1cc2ccccn2c1C(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone?
The InChIKey is OTUBBHPMNDPHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-16-15-18-7-5-6-14-23(18)21(16)22(24)17-10-12-20(13-11-17)25-19-8-3-2-4-9-19/h2-15H,1H3.
What are the key properties of (2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone?
(2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone has a molecular weight of 327.38 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 2326958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).