7-chloro-4-methoxy-3-propan-2-yl-1H-indole

C12H14ClNO — CID 131970997

IUPAC7-chloro-4-methoxy-3-propan-2-yl-1H-indole
SMILESCOc1ccc(Cl)c2[nH]cc(C(C)C)c12
InChIInChI=1S/C12H14ClNO/c1-7(2)8-6-14-12-9(13)4-5-10(15-3)11(8)12/h4-7,14H,1-3H3
InChIKeyDYSKSCQMAIZYCK-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.95
Rot. Bonds2

About 7-chloro-4-methoxy-3-propan-2-yl-1H-indole

7-chloro-4-methoxy-3-propan-2-yl-1H-indole (PubChem CID 131970997) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 7-chloro-4-methoxy-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name7-chloro-4-methoxy-3-propan-2-yl-1H-indole
PubChem CID131970997
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name7-chloro-4-methoxy-3-propan-2-yl-1H-indole
SMILESCOc1ccc(Cl)c2[nH]cc(C(C)C)c12
InChIInChI=1S/C12H14ClNO/c1-7(2)8-6-14-12-9(13)4-5-10(15-3)11(8)12/h4-7,14H,1-3H3
InChIKeyDYSKSCQMAIZYCK-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

Analyze 7-chloro-4-methoxy-3-propan-2-yl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-3-propan-2-yl-1H-indole?
The IUPAC name of 7-chloro-4-methoxy-3-propan-2-yl-1H-indole (CID 131970997) is 7-chloro-4-methoxy-3-propan-2-yl-1H-indole.
What is the SMILES notation for 7-chloro-4-methoxy-3-propan-2-yl-1H-indole?
The canonical SMILES for 7-chloro-4-methoxy-3-propan-2-yl-1H-indole is COc1ccc(Cl)c2[nH]cc(C(C)C)c12.
What is the InChIKey of 7-chloro-4-methoxy-3-propan-2-yl-1H-indole?
The InChIKey is DYSKSCQMAIZYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-7(2)8-6-14-12-9(13)4-5-10(15-3)11(8)12/h4-7,14H,1-3H3.
What are the key properties of 7-chloro-4-methoxy-3-propan-2-yl-1H-indole?
7-chloro-4-methoxy-3-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-3-propan-2-yl-1H-indole is sourced from PubChem (CID 131970997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).