2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one

C16H16ClNO2 — CID 83209123

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
SMILESCOc1ccc(Cl)cc1Cn1cc2c(c1)C(=O)CCC2
InChIInChI=1S/C16H16ClNO2/c1-20-16-6-5-13(17)7-12(16)9-18-8-11-3-2-4-15(19)14(11)10-18/h5-8,10H,2-4,9H2,1H3
InChIKeyRGPRBJPCTIEKJB-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.72
Rot. Bonds3

About 2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one

2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one (PubChem CID 83209123) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
PubChem CID83209123
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
SMILESCOc1ccc(Cl)cc1Cn1cc2c(c1)C(=O)CCC2
InChIInChI=1S/C16H16ClNO2/c1-20-16-6-5-13(17)7-12(16)9-18-8-11-3-2-4-15(19)14(11)10-18/h5-8,10H,2-4,9H2,1H3
InChIKeyRGPRBJPCTIEKJB-UHFFFAOYSA-N
XLogP3.72
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208005
2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208382
2-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 104792917
2-[(5-chlorothiophen-2-yl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208512
1-[(5-chloro-2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde
CID 66407918
3-[(5-chloro-2-methoxyphenyl)methyl]cyclohex-2-en-1-one
CID 65172036
2-[(2-methyl-3-nitrophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83210011
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-[(5-chloro-2-methoxyphenyl)methyl]-4-nitroimidazole
CID 24650224
2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208701
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
CID 79107502
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one (CID 83209123) is 2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one is COc1ccc(Cl)cc1Cn1cc2c(c1)C(=O)CCC2.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
The InChIKey is RGPRBJPCTIEKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-16-6-5-13(17)7-12(16)9-18-8-11-3-2-4-15(19)14(11)10-18/h5-8,10H,2-4,9H2,1H3.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one has a molecular weight of 289.76 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one is sourced from PubChem (CID 83209123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).