2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone

C16H15NO2 — CID 116612991

IUPAC2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc3c(c2)CNC3)c1
InChIInChI=1S/C16H15NO2/c1-19-15-4-2-3-11(8-15)16(18)12-5-6-13-9-17-10-14(13)7-12/h2-8,17H,9-10H2,1H3
InChIKeyWHTIVXHRICCLGC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.53
Rot. Bonds3

About 2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone

2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone (PubChem CID 116612991) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
PubChem CID116612991
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc3c(c2)CNC3)c1
InChIInChI=1S/C16H15NO2/c1-19-15-4-2-3-11(8-15)16(18)12-5-6-13-9-17-10-14(13)7-12/h2-8,17H,9-10H2,1H3
InChIKeyWHTIVXHRICCLGC-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609310
(3-methoxyphenyl)methyl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 103999589
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609283
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297098
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
CID 116613082
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone
CID 116613125

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone (CID 116612991) is 2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc3c(c2)CNC3)c1.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone?
The InChIKey is WHTIVXHRICCLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15-4-2-3-11(8-15)16(18)12-5-6-13-9-17-10-14(13)7-12/h2-8,17H,9-10H2,1H3.
What are the key properties of 2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone?
2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone has a molecular weight of 253.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone is sourced from PubChem (CID 116612991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).