(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone

C16H15NO2 — CID 86659859

IUPAC(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-14-7-8-15-13(11-14)9-10-17(15)16(18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyUWECUIYLAXWMBZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.90
Rot. Bonds2

About (5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone

(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone (PubChem CID 86659859) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
PubChem CID86659859
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-14-7-8-15-13(11-14)9-10-17(15)16(18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyUWECUIYLAXWMBZ-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone?
The IUPAC name of (5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone (CID 86659859) is (5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone.
What is the SMILES notation for (5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone?
The canonical SMILES for (5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone is COc1ccc2c(c1)CCN2C(=O)c1ccccc1.
What is the InChIKey of (5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone?
The InChIKey is UWECUIYLAXWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-14-7-8-15-13(11-14)9-10-17(15)16(18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of (5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone?
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone has a molecular weight of 253.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone is sourced from PubChem (CID 86659859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).