(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one

C24H21NO3 — CID 71490478

IUPAC(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccc3c(c2)c2ccccc2n3C)cc1OC
InChIInChI=1S/C24H21NO3/c1-25-20-7-5-4-6-18(20)19-14-16(8-11-21(19)25)9-12-22(26)17-10-13-23(27-2)24(15-17)28-3/h4-15H,1-3H3/b12-9+
InChIKeyZVWSYXPHBPSLCJ-FMIVXFBMSA-N
MW371.44 g/mol
LogP5.24
Rot. Bonds5

About (E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one

(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one (PubChem CID 71490478) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one
PubChem CID71490478
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccc3c(c2)c2ccccc2n3C)cc1OC
InChIInChI=1S/C24H21NO3/c1-25-20-7-5-4-6-18(20)19-14-16(8-11-21(19)25)9-12-22(26)17-10-13-23(27-2)24(15-17)28-3/h4-15H,1-3H3/b12-9+
InChIKeyZVWSYXPHBPSLCJ-FMIVXFBMSA-N
XLogP5.24
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
1-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 3666180
1-(9-methylcarbazol-3-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 3123837
3-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 4811069
2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 8859274
3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one
CID 71397195
(E)-1-(3,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 7947772
3-(3,4-dimethoxyphenyl)-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 3727934
(Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide
CID 170877567
(E)-1-(3,4-dimethoxyphenyl)-3-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19559421
3-fluoro-N-[3-[(E)-3-(9-methylcarbazol-3-yl)prop-2-enoyl]phenyl]benzamide
CID 70684873
4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]benzonitrile
CID 7947742

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one (CID 71490478) is (E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2ccc3c(c2)c2ccccc2n3C)cc1OC.
What is the InChIKey of (E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one?
The InChIKey is ZVWSYXPHBPSLCJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H21NO3/c1-25-20-7-5-4-6-18(20)19-14-16(8-11-21(19)25)9-12-22(26)17-10-13-23(27-2)24(15-17)28-3/h4-15H,1-3H3/b12-9+.
What are the key properties of (E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one?
(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one has a molecular weight of 371.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 71490478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).