[4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate

C19H17NO3 — CID 153303390

IUPAC[4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate
SMILESC=CC(=O)OCOc1ccc(-c2cc3ccccc3n2C)cc1
InChIInChI=1S/C19H17NO3/c1-3-19(21)23-13-22-16-10-8-14(9-11-16)18-12-15-6-4-5-7-17(15)20(18)2/h3-12H,1,13H2,2H3
InChIKeyVXNXNUAMRRFZEG-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.91
Rot. Bonds5

About [4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate

[4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate (PubChem CID 153303390) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate
PubChem CID153303390
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate
SMILESC=CC(=O)OCOc1ccc(-c2cc3ccccc3n2C)cc1
InChIInChI=1S/C19H17NO3/c1-3-19(21)23-13-22-16-10-8-14(9-11-16)18-12-15-6-4-5-7-17(15)20(18)2/h3-12H,1,13H2,2H3
InChIKeyVXNXNUAMRRFZEG-UHFFFAOYSA-N
XLogP3.91
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4,4-difluoro-7-[4-(1-methylindol-2-yl)phenoxy]heptyl] prop-2-enoate
CID 146391181
[3,3,3-trifluoro-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]propyl] prop-2-enoate
CID 146391415
[4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate
CID 59281810
[4,5-dihydroxy-6-(1-methyl-2-phenylindol-6-yl)oxyhexyl] prop-2-enoate
CID 154601572
1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one
CID 145263310
[4-[4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoyl]oxyphenyl] 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate
CID 90051323
3-[4-(ethenoxymethoxy)phenyl]-1-methylquinoline-2-thione
CID 126640641
4-[4-(prop-2-enoyloxymethoxy)phenyl]benzenesulfinate
CID 21361886
benzene;1-methyl-2-phenylindole
CID 158316839
[2-[4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoyl]oxyphenyl] 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate
CID 59181099
1-methyl-3-[4-(13-oxopentadec-14-enoxy)phenyl]quinolin-2-one
CID 134597004
[4-(4-isocyanophenyl)phenoxy]methyl prop-2-enoate
CID 58722719

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate?
The IUPAC name of [4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate (CID 153303390) is [4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate.
What is the SMILES notation for [4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate?
The canonical SMILES for [4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate is C=CC(=O)OCOc1ccc(-c2cc3ccccc3n2C)cc1.
What is the InChIKey of [4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate?
The InChIKey is VXNXNUAMRRFZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-19(21)23-13-22-16-10-8-14(9-11-16)18-12-15-6-4-5-7-17(15)20(18)2/h3-12H,1,13H2,2H3.
What are the key properties of [4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate?
[4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate has a molecular weight of 307.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate is sourced from PubChem (CID 153303390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).