[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate

C22H23NO4 — CID 135308431

IUPAC[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COc1cccc(-c2cc3ccccc3n2C)c1
InChIInChI=1S/C22H23NO4/c1-15(2)22(25)27-14-18(24)13-26-19-9-6-8-16(11-19)21-12-17-7-4-5-10-20(17)23(21)3/h4-12,18,24H,1,13-14H2,2-3H3
InChIKeyPWVBSQXRVIVGSR-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.70
Rot. Bonds7

About [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate (PubChem CID 135308431) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate
PubChem CID135308431
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COc1cccc(-c2cc3ccccc3n2C)c1
InChIInChI=1S/C22H23NO4/c1-15(2)22(25)27-14-18(24)13-26-19-9-6-8-16(11-19)21-12-17-7-4-5-10-20(17)23(21)3/h4-12,18,24H,1,13-14H2,2-3H3
InChIKeyPWVBSQXRVIVGSR-UHFFFAOYSA-N
XLogP3.70
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate
CID 155238791
[2-hydroxy-3-[4-(1-pentylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate
CID 135308425
[2-hydroxy-3-[3-(trifluoromethoxy)phenoxy]propyl] 2-methylprop-2-enoate
CID 177277226
[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate
CID 154601517
[3-(3,4-dichlorophenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 70628472
[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate
CID 154029952
[3-(3,5-dimethylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 59609188
(1-hydroxy-3-phenoxypropan-2-yl) 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) 2-methylprop-2-enoate
CID 160914554
[2-hydroxy-3-[[20-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-2-methyl-2-(4-phenylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]propyl] 2-methylprop-2-enoate
CID 145447046
[3-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 101084004
[2-hydroxy-3-[[4-[(2-hydroxy-3-phenoxypropoxy)methyl]cyclohexyl]methoxy]propyl] 2-methylprop-2-enoate
CID 67511890
[3-(2,6-diiodophenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 171726401

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate (CID 135308431) is [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COc1cccc(-c2cc3ccccc3n2C)c1.
What is the InChIKey of [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate?
The InChIKey is PWVBSQXRVIVGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-15(2)22(25)27-14-18(24)13-26-19-9-6-8-16(11-19)21-12-17-7-4-5-10-20(17)23(21)3/h4-12,18,24H,1,13-14H2,2-3H3.
What are the key properties of [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate has a molecular weight of 365.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 135308431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).