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

C25H23NO3 — CID 70138696

IUPAC3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one
SMILESCCn1c2ccccc2c2cc(C(=O)C=Cc3ccc(OC)cc3OC)ccc21
InChIInChI=1S/C25H23NO3/c1-4-26-22-8-6-5-7-20(22)21-15-18(10-13-23(21)26)24(27)14-11-17-9-12-19(28-2)16-25(17)29-3/h5-16H,4H2,1-3H3
InChIKeyDSEZFEDNZUWSKN-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.73
Rot. Bonds6

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

3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one (PubChem CID 70138696) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one
PubChem CID70138696
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one
SMILESCCn1c2ccccc2c2cc(C(=O)C=Cc3ccc(OC)cc3OC)ccc21
InChIInChI=1S/C25H23NO3/c1-4-26-22-8-6-5-7-20(22)21-15-18(10-13-23(21)26)24(27)14-11-17-9-12-19(28-2)16-25(17)29-3/h5-16H,4H2,1-3H3
InChIKeyDSEZFEDNZUWSKN-UHFFFAOYSA-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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Related Compounds

(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one
CID 56675195
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464
2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 9448690
(E)-3-(2,4-dimethoxyphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557240
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 5340533
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(E)-3-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448321
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one
CID 58442655
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8827183

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one (CID 70138696) is 3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one is CCn1c2ccccc2c2cc(C(=O)C=Cc3ccc(OC)cc3OC)ccc21.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The InChIKey is DSEZFEDNZUWSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-4-26-22-8-6-5-7-20(22)21-15-18(10-13-23(21)26)24(27)14-11-17-9-12-19(28-2)16-25(17)29-3/h5-16H,4H2,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
3-(2,4-dimethoxyphenyl)-1-(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 3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 70138696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).