(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone

C27H27NO — CID 142084471

IUPAC(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone
SMILESCCc1cccc2c1cc(C)n2C(=O)c1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C27H27NO/c1-3-23-13-8-14-26-25(23)19-20(2)28(26)27(29)24-17-15-22(16-18-24)12-7-11-21-9-5-4-6-10-21/h4-6,8-10,13-19H,3,7,11-12H2,1-2H3
InChIKeyGRRHSLWIYRCYRH-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.38
Rot. Bonds6

About (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone

(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone (PubChem CID 142084471) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone
PubChem CID142084471
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone
SMILESCCc1cccc2c1cc(C)n2C(=O)c1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C27H27NO/c1-3-23-13-8-14-26-25(23)19-20(2)28(26)27(29)24-17-15-22(16-18-24)12-7-11-21-9-5-4-6-10-21/h4-6,8-10,13-19H,3,7,11-12H2,1-2H3
InChIKeyGRRHSLWIYRCYRH-UHFFFAOYSA-N
XLogP6.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone?
The IUPAC name of (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone (CID 142084471) is (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone.
What is the SMILES notation for (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone?
The canonical SMILES for (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone is CCc1cccc2c1cc(C)n2C(=O)c1ccc(CCCc2ccccc2)cc1.
What is the InChIKey of (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone?
The InChIKey is GRRHSLWIYRCYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c1-3-23-13-8-14-26-25(23)19-20(2)28(26)27(29)24-17-15-22(16-18-24)12-7-11-21-9-5-4-6-10-21/h4-6,8-10,13-19H,3,7,11-12H2,1-2H3.
What are the key properties of (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone?
(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone has a molecular weight of 381.52 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone is sourced from PubChem (CID 142084471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).