(4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone

C26H23NO2 — CID 122219338

IUPAC(4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cn(CC/C=C\c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H23NO2/c1-29-22-16-14-21(15-17-22)26(28)24-19-27(25-13-6-5-12-23(24)25)18-8-7-11-20-9-3-2-4-10-20/h2-7,9-17,19H,8,18H2,1H3/b11-7-
InChIKeyLDYWVZOHCRKRGM-XFFZJAGNSA-N
MW381.48 g/mol
LogP5.98
Rot. Bonds7

About (4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone

(4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone (PubChem CID 122219338) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone
PubChem CID122219338
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name(4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cn(CC/C=C\c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H23NO2/c1-29-22-16-14-21(15-17-22)26(28)24-19-27(25-13-6-5-12-23(24)25)18-8-7-11-20-9-3-2-4-10-20/h2-7,9-17,19H,8,18H2,1H3/b11-7-
InChIKeyLDYWVZOHCRKRGM-XFFZJAGNSA-N
XLogP5.98
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone (CID 122219338) is (4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone is COc1ccc(C(=O)c2cn(CC/C=C\c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone?
The InChIKey is LDYWVZOHCRKRGM-XFFZJAGNSA-N. The full InChI is InChI=1S/C26H23NO2/c1-29-22-16-14-21(15-17-22)26(28)24-19-27(25-13-6-5-12-23(24)25)18-8-7-11-20-9-3-2-4-10-20/h2-7,9-17,19H,8,18H2,1H3/b11-7-.
What are the key properties of (4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone?
(4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone is sourced from PubChem (CID 122219338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).