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

C17H13NO2 — CID 11357505

IUPAC(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13NO2/c19-13-8-5-12(6-9-13)7-10-17(20)15-11-18-16-4-2-1-3-14(15)16/h1-11,18-19H/b10-7+
InChIKeyMFYFKHPBVNSWOH-JXMROGBWSA-N
MW263.30 g/mol
LogP3.77
Rot. Bonds3

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

(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one (PubChem CID 11357505) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
PubChem CID11357505
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13NO2/c19-13-8-5-12(6-9-13)7-10-17(20)15-11-18-16-4-2-1-3-14(15)16/h1-11,18-19H/b10-7+
InChIKeyMFYFKHPBVNSWOH-JXMROGBWSA-N
XLogP3.77
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 15122795
(E)-3-(3-bromo-4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 78874026
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
(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
1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25861
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 127260328
(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 5458878
(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 10399428
(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)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one (CID 11357505) is (E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one is O=C(/C=C/c1ccc(O)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one?
The InChIKey is MFYFKHPBVNSWOH-JXMROGBWSA-N. The full InChI is InChI=1S/C17H13NO2/c19-13-8-5-12(6-9-13)7-10-17(20)15-11-18-16-4-2-1-3-14(15)16/h1-11,18-19H/b10-7+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one?
(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one has a molecular weight of 263.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 11357505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).