(5-methoxy-1H-indol-2-yl)methyl acetate

C12H13NO3 — CID 22766960

IUPAC(5-methoxy-1H-indol-2-yl)methyl acetate
SMILESCOc1ccc2[nH]c(COC(C)=O)cc2c1
InChIInChI=1S/C12H13NO3/c1-8(14)16-7-10-5-9-6-11(15-2)3-4-12(9)13-10/h3-6,13H,7H2,1-2H3
InChIKeyBMVCPNZGVZZRBU-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.24
Rot. Bonds3

About (5-methoxy-1H-indol-2-yl)methyl acetate

(5-methoxy-1H-indol-2-yl)methyl acetate (PubChem CID 22766960) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)methyl acetate
PubChem CID22766960
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(5-methoxy-1H-indol-2-yl)methyl acetate
SMILESCOc1ccc2[nH]c(COC(C)=O)cc2c1
InChIInChI=1S/C12H13NO3/c1-8(14)16-7-10-5-9-6-11(15-2)3-4-12(9)13-10/h3-6,13H,7H2,1-2H3
InChIKeyBMVCPNZGVZZRBU-UHFFFAOYSA-N
XLogP2.24
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-1H-indol-2-yl)ethanamine
CID 11217728
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
CID 23073452
[4-[[(5-methoxy-1H-indol-2-yl)methylamino]methyl]-2,6-dimethylphenyl] acetate
CID 50970975
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
3-amino-6-methoxy-1H-quinolin-2-one
CID 115018057
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
2-(5-methoxy-1H-indol-2-yl)propan-1-amine
CID 82609174
ethyl (E)-3-(5-methoxy-1H-indol-2-yl)prop-2-enoate
CID 24741227
acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide
CID 155938523
(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 156870481

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-2-yl)methyl acetate?
The IUPAC name of (5-methoxy-1H-indol-2-yl)methyl acetate (CID 22766960) is (5-methoxy-1H-indol-2-yl)methyl acetate.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)methyl acetate?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)methyl acetate is COc1ccc2[nH]c(COC(C)=O)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)methyl acetate?
The InChIKey is BMVCPNZGVZZRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)16-7-10-5-9-6-11(15-2)3-4-12(9)13-10/h3-6,13H,7H2,1-2H3.
What are the key properties of (5-methoxy-1H-indol-2-yl)methyl acetate?
(5-methoxy-1H-indol-2-yl)methyl acetate has a molecular weight of 219.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-2-yl)methyl acetate is sourced from PubChem (CID 22766960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).