5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione

C19H19NO3 — CID 2200105

IUPAC5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H19NO3/c1-12(2)23-15-7-5-14(6-8-15)11-20-17-9-4-13(3)10-16(17)18(21)19(20)22/h4-10,12H,11H2,1-3H3
InChIKeyNGYDJAXSNPRMJB-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.51
Rot. Bonds4

About 5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione

5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione (PubChem CID 2200105) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione
PubChem CID2200105
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H19NO3/c1-12(2)23-15-7-5-14(6-8-15)11-20-17-9-4-13(3)10-16(17)18(21)19(20)22/h4-10,12H,11H2,1-3H3
InChIKeyNGYDJAXSNPRMJB-UHFFFAOYSA-N
XLogP3.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

CID 42633508
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CID 669395
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CID 1999089
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CID 776356
CID 776356
CID 2141772
CID 2141772
CID 2141776
CID 2141776
CID 2145489
CID 2145489
CID 2145491
CID 2145491
CID 2145492
CID 2145492
CID 3157305
CID 3157305
CID 3157307
CID 3157307
CID 17582328
CID 17582328

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione (CID 2200105) is 5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione is Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione?
The InChIKey is NGYDJAXSNPRMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12(2)23-15-7-5-14(6-8-15)11-20-17-9-4-13(3)10-16(17)18(21)19(20)22/h4-10,12H,11H2,1-3H3.
What are the key properties of 5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione?
5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione has a molecular weight of 309.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 2200105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).