2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium

C19H19NO3Y — CID 177336882

IUPAC2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium
SMILESCOc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(O)c1OC.[Y]
InChIInChI=1S/C19H19NO3.Y/c1-20-9-8-15-10-13(6-7-16(15)20)4-5-14-11-17(21)19(23-3)18(12-14)22-2;/h4-12,21H,1-3H3;/b5-4-;
InChIKeyAVKHDMKCCIUACZ-MKWAYWHRSA-N
MW398.27 g/mol
LogP4.07
Rot. Bonds4

About 2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium

2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium (PubChem CID 177336882) has the molecular formula C19H19NO3Y and a molecular weight of 398.27 g/mol. Its IUPAC name is 2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium.

Molecular Properties

Compound Name2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium
PubChem CID177336882
Molecular FormulaC19H19NO3Y
Molecular Weight398.27 g/mol
Exact Mass398.04
IUPAC Name2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium
SMILESCOc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(O)c1OC.[Y]
InChIInChI=1S/C19H19NO3.Y/c1-20-9-8-15-10-13(6-7-16(15)20)4-5-14-11-17(21)19(23-3)18(12-14)22-2;/h4-12,21H,1-3H3;/b5-4-;
InChIKeyAVKHDMKCCIUACZ-MKWAYWHRSA-N
XLogP4.07
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
[5-[(Z)-2-(3-hydroxy-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
CID 44584265
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate
CID 67563454
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
5-methoxy-1-methylindole
CID 819864
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol
CID 123931349
acetic acid;6-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzofuran-4-ol
CID 71416233
5-[(Z)-2-(3-fluorosulfonyloxy-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 163428609
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium?
The IUPAC name of 2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium (CID 177336882) is 2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium.
What is the SMILES notation for 2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium?
The canonical SMILES for 2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium is COc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(O)c1OC.[Y].
What is the InChIKey of 2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium?
The InChIKey is AVKHDMKCCIUACZ-MKWAYWHRSA-N. The full InChI is InChI=1S/C19H19NO3.Y/c1-20-9-8-15-10-13(6-7-16(15)20)4-5-14-11-17(21)19(23-3)18(12-14)22-2;/h4-12,21H,1-3H3;/b5-4-;.
What are the key properties of 2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium?
2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium has a molecular weight of 398.27 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium is sourced from PubChem (CID 177336882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).