4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole

C15H13Cl2NO — CID 116698622

IUPAC4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole
SMILESCOc1cc(Cl)c(-c2cccc3c2CCN3)cc1Cl
InChIInChI=1S/C15H13Cl2NO/c1-19-15-8-12(16)11(7-13(15)17)9-3-2-4-14-10(9)5-6-18-14/h2-4,7-8,18H,5-6H2,1H3
InChIKeyNSFVRWHEEWOZFU-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.64
Rot. Bonds2

About 4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole

4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole (PubChem CID 116698622) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole
PubChem CID116698622
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole
SMILESCOc1cc(Cl)c(-c2cccc3c2CCN3)cc1Cl
InChIInChI=1S/C15H13Cl2NO/c1-19-15-8-12(16)11(7-13(15)17)9-3-2-4-14-10(9)5-6-18-14/h2-4,7-8,18H,5-6H2,1H3
InChIKeyNSFVRWHEEWOZFU-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698337
4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole
CID 175786397
4-(3-methoxypyrazin-2-yl)-2,3-dihydro-1H-indole
CID 116698410
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
CID 116698400
4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole
CID 116698397
4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole
CID 116698620
6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 115015195
4-naphthalen-2-yl-2,3-dihydro-1H-indole
CID 116698319
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea
CID 66613515
6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole
CID 116698516

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole (CID 116698622) is 4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole is COc1cc(Cl)c(-c2cccc3c2CCN3)cc1Cl.
What is the InChIKey of 4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
The InChIKey is NSFVRWHEEWOZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-19-15-8-12(16)11(7-13(15)17)9-3-2-4-14-10(9)5-6-18-14/h2-4,7-8,18H,5-6H2,1H3.
What are the key properties of 4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole has a molecular weight of 294.18 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).