7-chloro-4-methoxy-2-propan-2-yl-1H-indole

C12H14ClNO — CID 83642855

IUPAC7-chloro-4-methoxy-2-propan-2-yl-1H-indole
SMILESCOc1ccc(Cl)c2[nH]c(C(C)C)cc12
InChIInChI=1S/C12H14ClNO/c1-7(2)10-6-8-11(15-3)5-4-9(13)12(8)14-10/h4-7,14H,1-3H3
InChIKeyNEIGHXMMMZHKSI-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.95
Rot. Bonds2

About 7-chloro-4-methoxy-2-propan-2-yl-1H-indole

7-chloro-4-methoxy-2-propan-2-yl-1H-indole (PubChem CID 83642855) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 7-chloro-4-methoxy-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name7-chloro-4-methoxy-2-propan-2-yl-1H-indole
PubChem CID83642855
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name7-chloro-4-methoxy-2-propan-2-yl-1H-indole
SMILESCOc1ccc(Cl)c2[nH]c(C(C)C)cc12
InChIInChI=1S/C12H14ClNO/c1-7(2)10-6-8-11(15-3)5-4-9(13)12(8)14-10/h4-7,14H,1-3H3
InChIKeyNEIGHXMMMZHKSI-UHFFFAOYSA-N
XLogP3.95
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-2-propan-2-yl-1H-indole?
The IUPAC name of 7-chloro-4-methoxy-2-propan-2-yl-1H-indole (CID 83642855) is 7-chloro-4-methoxy-2-propan-2-yl-1H-indole.
What is the SMILES notation for 7-chloro-4-methoxy-2-propan-2-yl-1H-indole?
The canonical SMILES for 7-chloro-4-methoxy-2-propan-2-yl-1H-indole is COc1ccc(Cl)c2[nH]c(C(C)C)cc12.
What is the InChIKey of 7-chloro-4-methoxy-2-propan-2-yl-1H-indole?
The InChIKey is NEIGHXMMMZHKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-7(2)10-6-8-11(15-3)5-4-9(13)12(8)14-10/h4-7,14H,1-3H3.
What are the key properties of 7-chloro-4-methoxy-2-propan-2-yl-1H-indole?
7-chloro-4-methoxy-2-propan-2-yl-1H-indole has a molecular weight of 223.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-2-propan-2-yl-1H-indole is sourced from PubChem (CID 83642855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).