4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole

C14H11Cl2NO — CID 103428232

IUPAC4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole
SMILESCc1ccc(Cn2ccc3c(Cl)cc(Cl)cc32)o1
InChIInChI=1S/C14H11Cl2NO/c1-9-2-3-11(18-9)8-17-5-4-12-13(16)6-10(15)7-14(12)17/h2-7H,8H2,1H3
InChIKeyDBAQRWBDVMKYQA-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.90
Rot. Bonds2

About 4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole

4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole (PubChem CID 103428232) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole.

Molecular Properties

Compound Name4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole
PubChem CID103428232
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole
SMILESCc1ccc(Cn2ccc3c(Cl)cc(Cl)cc32)o1
InChIInChI=1S/C14H11Cl2NO/c1-9-2-3-11(18-9)8-17-5-4-12-13(16)6-10(15)7-14(12)17/h2-7H,8H2,1H3
InChIKeyDBAQRWBDVMKYQA-UHFFFAOYSA-N
XLogP4.90
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole?
The IUPAC name of 4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole (CID 103428232) is 4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole.
What is the SMILES notation for 4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole?
The canonical SMILES for 4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole is Cc1ccc(Cn2ccc3c(Cl)cc(Cl)cc32)o1.
What is the InChIKey of 4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole?
The InChIKey is DBAQRWBDVMKYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-9-2-3-11(18-9)8-17-5-4-12-13(16)6-10(15)7-14(12)17/h2-7H,8H2,1H3.
What are the key properties of 4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole?
4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole has a molecular weight of 280.15 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole is sourced from PubChem (CID 103428232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).