(1-methylindol-3-yl)-phenylmethanone

C16H13NO — CID 899817

IUPAC(1-methylindol-3-yl)-phenylmethanone
SMILESCn1cc(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C16H13NO/c1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeySTRIBORQTQQOGQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.41
Rot. Bonds2

About (1-methylindol-3-yl)-phenylmethanone

(1-methylindol-3-yl)-phenylmethanone (PubChem CID 899817) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (1-methylindol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-phenylmethanone
PubChem CID899817
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(1-methylindol-3-yl)-phenylmethanone
SMILESCn1cc(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C16H13NO/c1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeySTRIBORQTQQOGQ-UHFFFAOYSA-N
XLogP3.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-phenylmethanone?
The IUPAC name of (1-methylindol-3-yl)-phenylmethanone (CID 899817) is (1-methylindol-3-yl)-phenylmethanone.
What is the SMILES notation for (1-methylindol-3-yl)-phenylmethanone?
The canonical SMILES for (1-methylindol-3-yl)-phenylmethanone is Cn1cc(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-phenylmethanone?
The InChIKey is STRIBORQTQQOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of (1-methylindol-3-yl)-phenylmethanone?
(1-methylindol-3-yl)-phenylmethanone has a molecular weight of 235.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-phenylmethanone is sourced from PubChem (CID 899817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).