1-(3-chlorophenyl)-3-methoxy-1H-isoindole

C15H12ClNO — CID 122388639

IUPAC1-(3-chlorophenyl)-3-methoxy-1H-isoindole
SMILESCOC1=NC(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C15H12ClNO/c1-18-15-13-8-3-2-7-12(13)14(17-15)10-5-4-6-11(16)9-10/h2-9,14H,1H3
InChIKeyWVATUFQBZZSNMK-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.84
Rot. Bonds1

About 1-(3-chlorophenyl)-3-methoxy-1H-isoindole

1-(3-chlorophenyl)-3-methoxy-1H-isoindole (PubChem CID 122388639) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-methoxy-1H-isoindole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-methoxy-1H-isoindole
PubChem CID122388639
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name1-(3-chlorophenyl)-3-methoxy-1H-isoindole
SMILESCOC1=NC(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C15H12ClNO/c1-18-15-13-8-3-2-7-12(13)14(17-15)10-5-4-6-11(16)9-10/h2-9,14H,1H3
InChIKeyWVATUFQBZZSNMK-UHFFFAOYSA-N
XLogP3.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-1H-isoquinolin-4-one
CID 19098787
(1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole
CID 129403901
9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene
CID 132540432
[4-(3-chlorophenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidin-5-yl] methyl carbonate
CID 70448821
methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 13276669
3-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 18675457
(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405682
(1R,3R)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405683
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid
CID 19769608
(3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium
CID 6333148
(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 76969208

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-methoxy-1H-isoindole?
The IUPAC name of 1-(3-chlorophenyl)-3-methoxy-1H-isoindole (CID 122388639) is 1-(3-chlorophenyl)-3-methoxy-1H-isoindole.
What is the SMILES notation for 1-(3-chlorophenyl)-3-methoxy-1H-isoindole?
The canonical SMILES for 1-(3-chlorophenyl)-3-methoxy-1H-isoindole is COC1=NC(c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-3-methoxy-1H-isoindole?
The InChIKey is WVATUFQBZZSNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-18-15-13-8-3-2-7-12(13)14(17-15)10-5-4-6-11(16)9-10/h2-9,14H,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-methoxy-1H-isoindole?
1-(3-chlorophenyl)-3-methoxy-1H-isoindole has a molecular weight of 257.72 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-methoxy-1H-isoindole is sourced from PubChem (CID 122388639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).