5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole

C18H16ClNO — CID 143870441

IUPAC5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(Cl)cc3c2C2CC2)cc1
InChIInChI=1S/C18H16ClNO/c1-21-14-7-4-12(5-8-14)18-17(11-2-3-11)15-10-13(19)6-9-16(15)20-18/h4-11,20H,2-3H2,1H3
InChIKeySYKCUEZZUZPQNO-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.37
Rot. Bonds3

About 5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole

5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole (PubChem CID 143870441) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole
PubChem CID143870441
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(Cl)cc3c2C2CC2)cc1
InChIInChI=1S/C18H16ClNO/c1-21-14-7-4-12(5-8-14)18-17(11-2-3-11)15-10-13(19)6-9-16(15)20-18/h4-11,20H,2-3H2,1H3
InChIKeySYKCUEZZUZPQNO-UHFFFAOYSA-N
XLogP5.37
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole?
The IUPAC name of 5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole (CID 143870441) is 5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole.
What is the SMILES notation for 5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole?
The canonical SMILES for 5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole is COc1ccc(-c2[nH]c3ccc(Cl)cc3c2C2CC2)cc1.
What is the InChIKey of 5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole?
The InChIKey is SYKCUEZZUZPQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-21-14-7-4-12(5-8-14)18-17(11-2-3-11)15-10-13(19)6-9-16(15)20-18/h4-11,20H,2-3H2,1H3.
What are the key properties of 5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole?
5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole has a molecular weight of 297.79 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 143870441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).