methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate

C20H19NO3 — CID 15946338

IUPACmethyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
SMILESC=C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)OC
InChIInChI=1S/C20H19NO3/c1-14(20(22)23-2)10-16-12-21-19-9-8-17(11-18(16)19)24-13-15-6-4-3-5-7-15/h3-9,11-12,21H,1,10,13H2,2H3
InChIKeyNKBVSBXMXGIQES-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.02
Rot. Bonds6

About methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate

methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate (PubChem CID 15946338) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
PubChem CID15946338
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Namemethyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
SMILESC=C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)OC
InChIInChI=1S/C20H19NO3/c1-14(20(22)23-2)10-16-12-21-19-9-8-17(11-18(16)19)24-13-15-6-4-3-5-7-15/h3-9,11-12,21H,1,10,13H2,2H3
InChIKeyNKBVSBXMXGIQES-UHFFFAOYSA-N
XLogP4.02
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
diethyl 2-amino-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate
CID 11502438
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
2-acetamido-3-ethoxy-3-oxo-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanoic acid
CID 154287399

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate (CID 15946338) is methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate is C=C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)OC.
What is the InChIKey of methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate?
The InChIKey is NKBVSBXMXGIQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14(20(22)23-2)10-16-12-21-19-9-8-17(11-18(16)19)24-13-15-6-4-3-5-7-15/h3-9,11-12,21H,1,10,13H2,2H3.
What are the key properties of methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate?
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate has a molecular weight of 321.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate is sourced from PubChem (CID 15946338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).