2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole

C16H21NO4 — CID 19808736

IUPAC2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole
SMILESC=C(c1cc2cc(OC)ccc2n1COC)C(OC)OC
InChIInChI=1S/C16H21NO4/c1-11(16(20-4)21-5)15-9-12-8-13(19-3)6-7-14(12)17(15)10-18-2/h6-9,16H,1,10H2,2-5H3
InChIKeyMHFMAOOQIWNEKW-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.89
Rot. Bonds7

About 2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole

2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole (PubChem CID 19808736) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole.

Molecular Properties

Compound Name2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole
PubChem CID19808736
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole
SMILESC=C(c1cc2cc(OC)ccc2n1COC)C(OC)OC
InChIInChI=1S/C16H21NO4/c1-11(16(20-4)21-5)15-9-12-8-13(19-3)6-7-14(12)17(15)10-18-2/h6-9,16H,1,10H2,2-5H3
InChIKeyMHFMAOOQIWNEKW-UHFFFAOYSA-N
XLogP2.89
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole
CID 19808713
5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole
CID 86052830
ethyl 5-methoxy-1-prop-2-enylindole-2-carboxylate
CID 71427681
(1-butyl-5-methoxyindol-2-yl)methanol
CID 166624602
1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol
CID 135071669
[5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
CID 166624600
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
1-benzyl-2-ethenyl-5-methoxyindole
CID 139256269
methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate
CID 166518412
5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 168741031
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
2-(dimethylamino)ethyl 5-methoxy-1-(2-methoxy-2-oxoethyl)indole-2-carboxylate
CID 71577435

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole?
The IUPAC name of 2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole (CID 19808736) is 2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole.
What is the SMILES notation for 2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole?
The canonical SMILES for 2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole is C=C(c1cc2cc(OC)ccc2n1COC)C(OC)OC.
What is the InChIKey of 2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole?
The InChIKey is MHFMAOOQIWNEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(16(20-4)21-5)15-9-12-8-13(19-3)6-7-14(12)17(15)10-18-2/h6-9,16H,1,10H2,2-5H3.
What are the key properties of 2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole?
2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole has a molecular weight of 291.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethoxyprop-1-en-2-yl)-5-methoxy-1-(methoxymethyl)indole is sourced from PubChem (CID 19808736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).