1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol

C24H21NO2 — CID 142939513

IUPAC1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol
SMILESC=C(O)c1ccc(OCc2cccc(-c3ccc4[nH]ccc4c3)c2)cc1C
InChIInChI=1S/C24H21NO2/c1-16-12-22(7-8-23(16)17(2)26)27-15-18-4-3-5-19(13-18)20-6-9-24-21(14-20)10-11-25-24/h3-14,25-26H,2,15H2,1H3
InChIKeyKDQGARCUXXYNPF-UHFFFAOYSA-N
MW355.44 g/mol
LogP6.25
Rot. Bonds5

About 1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol

1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol (PubChem CID 142939513) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol.

Molecular Properties

Compound Name1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol
PubChem CID142939513
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol
SMILESC=C(O)c1ccc(OCc2cccc(-c3ccc4[nH]ccc4c3)c2)cc1C
InChIInChI=1S/C24H21NO2/c1-16-12-22(7-8-23(16)17(2)26)27-15-18-4-3-5-19(13-18)20-6-9-24-21(14-20)10-11-25-24/h3-14,25-26H,2,15H2,1H3
InChIKeyKDQGARCUXXYNPF-UHFFFAOYSA-N
XLogP6.25
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-5-yloxymethyl)benzamide
CID 80641446
4-(1H-indol-5-yloxymethyl)phenol
CID 80641928
2-[3-(1H-indol-5-yloxymethyl)phenyl]-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 118152194
5-(2-methylprop-2-enoxy)-1H-indole
CID 80641089
5-[(2,5-dimethylphenyl)methoxy]-1H-indole
CID 80642432
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
4-[(3-methoxyphenyl)methoxy]-2-methylbenzenecarbothioamide
CID 81277331
7-methyl-5-phenylmethoxy-1H-indole
CID 156694720
5-[4-(2-methoxyethoxy)phenyl]-1H-indole
CID 66820304
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol?
The IUPAC name of 1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol (CID 142939513) is 1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol.
What is the SMILES notation for 1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol?
The canonical SMILES for 1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol is C=C(O)c1ccc(OCc2cccc(-c3ccc4[nH]ccc4c3)c2)cc1C.
What is the InChIKey of 1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol?
The InChIKey is KDQGARCUXXYNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-16-12-22(7-8-23(16)17(2)26)27-15-18-4-3-5-19(13-18)20-6-9-24-21(14-20)10-11-25-24/h3-14,25-26H,2,15H2,1H3.
What are the key properties of 1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol?
1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol has a molecular weight of 355.44 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(1H-indol-5-yl)phenyl]methoxy]-2-methylphenyl]ethenol is sourced from PubChem (CID 142939513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).