[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone

C27H20ClNO3 — CID 91115948

IUPAC[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ccc(-c3ccccc3)o1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C27H20ClNO3/c1-31-21-11-12-24-22(15-21)23(17-29(24)16-18-7-9-20(28)10-8-18)27(30)26-14-13-25(32-26)19-5-3-2-4-6-19/h2-15,17H,16H2,1H3
InChIKeyKLCFIZQVFCDAKA-UHFFFAOYSA-N
MW441.91 g/mol
LogP6.84
Rot. Bonds6

About [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone

[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone (PubChem CID 91115948) has the molecular formula C27H20ClNO3 and a molecular weight of 441.91 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone
PubChem CID91115948
Molecular FormulaC27H20ClNO3
Molecular Weight441.91 g/mol
Exact Mass441.11
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ccc(-c3ccccc3)o1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C27H20ClNO3/c1-31-21-11-12-24-22(15-21)23(17-29(24)16-18-7-9-20(28)10-8-18)27(30)26-14-13-25(32-26)19-5-3-2-4-6-19/h2-15,17H,16H2,1H3
InChIKeyKLCFIZQVFCDAKA-UHFFFAOYSA-N
XLogP6.84
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.91
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone (CID 91115948) is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone is COc1ccc2c(c1)c(C(=O)c1ccc(-c3ccccc3)o1)cn2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone?
The InChIKey is KLCFIZQVFCDAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClNO3/c1-31-21-11-12-24-22(15-21)23(17-29(24)16-18-7-9-20(28)10-8-18)27(30)26-14-13-25(32-26)19-5-3-2-4-6-19/h2-15,17H,16H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone has a molecular weight of 441.91 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone is sourced from PubChem (CID 91115948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).