2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

C18H18ClNO2 — CID 3769438

IUPAC2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H18ClNO2/c1-12-11-15(19)7-8-17(12)22-13(2)18(21)20-10-9-14-5-3-4-6-16(14)20/h3-8,11,13H,9-10H2,1-2H3
InChIKeyRPQDGGJOGWOPQR-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.01
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 3769438) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID3769438
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H18ClNO2/c1-12-11-15(19)7-8-17(12)22-13(2)18(21)20-10-9-14-5-3-4-6-16(14)20/h3-8,11,13H,9-10H2,1-2H3
InChIKeyRPQDGGJOGWOPQR-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 3769438) is 2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is Cc1cc(Cl)ccc1OC(C)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is RPQDGGJOGWOPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-12-11-15(19)7-8-17(12)22-13(2)18(21)20-10-9-14-5-3-4-6-16(14)20/h3-8,11,13H,9-10H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 315.80 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 3769438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).