(1-benzyl-5-methoxyindol-3-yl) acetate

C18H17NO3 — CID 50941305

IUPAC(1-benzyl-5-methoxyindol-3-yl) acetate
SMILESCOc1ccc2c(c1)c(OC(C)=O)cn2Cc1ccccc1
InChIInChI=1S/C18H17NO3/c1-13(20)22-18-12-19(11-14-6-4-3-5-7-14)17-9-8-15(21-2)10-16(17)18/h3-10,12H,11H2,1-2H3
InChIKeyWZBILYKLKDOTKH-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.62
Rot. Bonds4

About (1-benzyl-5-methoxyindol-3-yl) acetate

(1-benzyl-5-methoxyindol-3-yl) acetate (PubChem CID 50941305) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (1-benzyl-5-methoxyindol-3-yl) acetate.

Molecular Properties

Compound Name(1-benzyl-5-methoxyindol-3-yl) acetate
PubChem CID50941305
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(1-benzyl-5-methoxyindol-3-yl) acetate
SMILESCOc1ccc2c(c1)c(OC(C)=O)cn2Cc1ccccc1
InChIInChI=1S/C18H17NO3/c1-13(20)22-18-12-19(11-14-6-4-3-5-7-14)17-9-8-15(21-2)10-16(17)18/h3-10,12H,11H2,1-2H3
InChIKeyWZBILYKLKDOTKH-UHFFFAOYSA-N
XLogP3.62
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
2-[(1-benzyl-5-methoxyindol-3-yl)methylamino]-2-phenylacetic acid
CID 19796681
(1-benzyl-4-chloroindol-3-yl) acetate
CID 54753129
1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
CID 11718287
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
[5-methoxy-2-(2-phenylacetyl)phenyl] acetate
CID 12582102
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone
CID 91115948
2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid
CID 67243201

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methoxyindol-3-yl) acetate?
The IUPAC name of (1-benzyl-5-methoxyindol-3-yl) acetate (CID 50941305) is (1-benzyl-5-methoxyindol-3-yl) acetate.
What is the SMILES notation for (1-benzyl-5-methoxyindol-3-yl) acetate?
The canonical SMILES for (1-benzyl-5-methoxyindol-3-yl) acetate is COc1ccc2c(c1)c(OC(C)=O)cn2Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methoxyindol-3-yl) acetate?
The InChIKey is WZBILYKLKDOTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-13(20)22-18-12-19(11-14-6-4-3-5-7-14)17-9-8-15(21-2)10-16(17)18/h3-10,12H,11H2,1-2H3.
What are the key properties of (1-benzyl-5-methoxyindol-3-yl) acetate?
(1-benzyl-5-methoxyindol-3-yl) acetate has a molecular weight of 295.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methoxyindol-3-yl) acetate is sourced from PubChem (CID 50941305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).