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

C25H23NO3 — CID 7947768

IUPAC(E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(OC)c(OC)c3)ccc21
InChIInChI=1S/C25H23NO3/c1-4-26-21-8-6-5-7-19(21)20-15-17(9-12-22(20)26)10-13-23(27)18-11-14-24(28-2)25(16-18)29-3/h5-16H,4H2,1-3H3/b13-10+
InChIKeyVXVMPPXJDLYBLP-JLHYYAGUSA-N
MW385.46 g/mol
LogP5.73
Rot. Bonds6

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

(E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one (PubChem CID 7947768) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
PubChem CID7947768
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(OC)c(OC)c3)ccc21
InChIInChI=1S/C25H23NO3/c1-4-26-21-8-6-5-7-19(21)20-15-17(9-12-22(20)26)10-13-23(27)18-11-14-24(28-2)25(16-18)29-3/h5-16H,4H2,1-3H3/b13-10+
InChIKeyVXVMPPXJDLYBLP-JLHYYAGUSA-N
XLogP5.73
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.73
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one (CID 7947768) is (E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one is CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(OC)c(OC)c3)ccc21.
What is the InChIKey of (E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The InChIKey is VXVMPPXJDLYBLP-JLHYYAGUSA-N. The full InChI is InChI=1S/C25H23NO3/c1-4-26-21-8-6-5-7-19(21)20-15-17(9-12-22(20)26)10-13-23(27)18-11-14-24(28-2)25(16-18)29-3/h5-16H,4H2,1-3H3/b13-10+.
What are the key properties of (E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
(E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one has a molecular weight of 385.46 g/mol, XLogP of 5.73, 6 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-ethylcarbazol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 7947768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).