2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone

C21H17NO2 — CID 102291764

IUPAC2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone
SMILESCOCC(=O)n1c2ccccc2c2cccc(-c3ccccc3)c21
InChIInChI=1S/C21H17NO2/c1-24-14-20(23)22-19-13-6-5-10-17(19)18-12-7-11-16(21(18)22)15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyJZLGDYNKELCXLZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.75
Rot. Bonds3

About 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone

2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone (PubChem CID 102291764) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone
PubChem CID102291764
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone
SMILESCOCC(=O)n1c2ccccc2c2cccc(-c3ccccc3)c21
InChIInChI=1S/C21H17NO2/c1-24-14-20(23)22-19-13-6-5-10-17(19)18-12-7-11-16(21(18)22)15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyJZLGDYNKELCXLZ-UHFFFAOYSA-N
XLogP4.75
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide
CID 175352867
1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone
CID 102291766
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
CID 176615335
ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate
CID 10092561
1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone
CID 102291757
methyl 14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene-11-carboxylate
CID 121386131
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 146397378
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471
11-phenyl-12,14-diazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121385933
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone?
The IUPAC name of 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone (CID 102291764) is 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone is COCC(=O)n1c2ccccc2c2cccc(-c3ccccc3)c21.
What is the InChIKey of 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone?
The InChIKey is JZLGDYNKELCXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-24-14-20(23)22-19-13-6-5-10-17(19)18-12-7-11-16(21(18)22)15-8-3-2-4-9-15/h2-13H,14H2,1H3.
What are the key properties of 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone?
2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone has a molecular weight of 315.37 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone is sourced from PubChem (CID 102291764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).