4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole

C14H18BrNO — CID 117174060

IUPAC4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
SMILESCCOCc1cc2c(Br)cccc2n1C(C)C
InChIInChI=1S/C14H18BrNO/c1-4-17-9-11-8-12-13(15)6-5-7-14(12)16(11)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyKBMBUYDSYOTPQA-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.52
Rot. Bonds4

About 4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole

4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole (PubChem CID 117174060) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
PubChem CID117174060
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
SMILESCCOCc1cc2c(Br)cccc2n1C(C)C
InChIInChI=1S/C14H18BrNO/c1-4-17-9-11-8-12-13(15)6-5-7-14(12)16(11)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyKBMBUYDSYOTPQA-UHFFFAOYSA-N
XLogP4.52
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole?
The IUPAC name of 4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole (CID 117174060) is 4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole.
What is the SMILES notation for 4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole?
The canonical SMILES for 4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole is CCOCc1cc2c(Br)cccc2n1C(C)C.
What is the InChIKey of 4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole?
The InChIKey is KBMBUYDSYOTPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-4-17-9-11-8-12-13(15)6-5-7-14(12)16(11)10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole?
4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole has a molecular weight of 296.21 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole is sourced from PubChem (CID 117174060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).