(5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate

C18H17NO4 — CID 44514830

IUPAC(5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate
SMILESCOc1ccc2c(c1)c(C)c(OC(=O)Oc1ccccc1)n2C
InChIInChI=1S/C18H17NO4/c1-12-15-11-14(21-3)9-10-16(15)19(2)17(12)23-18(20)22-13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyFLMPCUVAFYKZHL-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.07
Rot. Bonds3

About (5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate

(5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate (PubChem CID 44514830) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate.

Molecular Properties

Compound Name(5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate
PubChem CID44514830
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate
SMILESCOc1ccc2c(c1)c(C)c(OC(=O)Oc1ccccc1)n2C
InChIInChI=1S/C18H17NO4/c1-12-15-11-14(21-3)9-10-16(15)19(2)17(12)23-18(20)22-13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyFLMPCUVAFYKZHL-UHFFFAOYSA-N
XLogP4.07
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
(E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one
CID 142885299
benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate
CID 102166837
4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
CID 171338243
3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
CID 82118498
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
1,3-dimethyl-5-phenoxyindole-2-carbaldehyde
CID 82501585
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate?
The IUPAC name of (5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate (CID 44514830) is (5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate.
What is the SMILES notation for (5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate?
The canonical SMILES for (5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate is COc1ccc2c(c1)c(C)c(OC(=O)Oc1ccccc1)n2C.
What is the InChIKey of (5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate?
The InChIKey is FLMPCUVAFYKZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12-15-11-14(21-3)9-10-16(15)19(2)17(12)23-18(20)22-13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of (5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate?
(5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate has a molecular weight of 311.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate is sourced from PubChem (CID 44514830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).