(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one

C18H15NO — CID 15122795

IUPAC(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H15NO/c1-13-6-8-14(9-7-13)10-11-18(20)16-12-19-17-5-3-2-4-15(16)17/h2-12,19H,1H3/b11-10+
InChIKeyBCODXIOICRBUFT-ZHACJKMWSA-N
MW261.32 g/mol
LogP4.37
Rot. Bonds3

About (E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one

(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one (PubChem CID 15122795) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
PubChem CID15122795
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H15NO/c1-13-6-8-14(9-7-13)10-11-18(20)16-12-19-17-5-3-2-4-15(16)17/h2-12,19H,1H3/b11-10+
InChIKeyBCODXIOICRBUFT-ZHACJKMWSA-N
XLogP4.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 11357505
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
(E)-3-(3-bromo-4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 78874026
(E)-3-(3-chlorophenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122798
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 78873903
(E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 78874032
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
1-(1H-indol-3-yl)-3-(4-methylphenyl)propane-1,2-dione
CID 160732644
(E)-1-(1H-indol-3-yl)non-2-en-1-one
CID 22400476
(E)-1-(1H-indol-3-yl)dec-2-en-1-one
CID 22400542
(Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 101442248

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one (CID 15122795) is (E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of (E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is BCODXIOICRBUFT-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H15NO/c1-13-6-8-14(9-7-13)10-11-18(20)16-12-19-17-5-3-2-4-15(16)17/h2-12,19H,1H3/b11-10+.
What are the key properties of (E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one?
(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 261.32 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 15122795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).