4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol

C24H21NO2 — CID 163781025

IUPAC4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol
SMILESOC1=CC=C(/C=C/c2c(/C=C/c3ccc(O)cc3)[nH]c3ccccc23)CC1
InChIInChI=1S/C24H21NO2/c26-19-11-5-17(6-12-19)9-15-22-21-3-1-2-4-23(21)25-24(22)16-10-18-7-13-20(27)14-8-18/h1-5,7-11,13-16,25-27H,6,12H2/b15-9+,16-10+
InChIKeyMOPFCAISNWDYRJ-KAVGSWPWSA-N
MW355.44 g/mol
LogP6.22
Rot. Bonds4

About 4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol

4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol (PubChem CID 163781025) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol
PubChem CID163781025
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol
SMILESOC1=CC=C(/C=C/c2c(/C=C/c3ccc(O)cc3)[nH]c3ccccc23)CC1
InChIInChI=1S/C24H21NO2/c26-19-11-5-17(6-12-19)9-15-22-21-3-1-2-4-23(21)25-24(22)16-10-18-7-13-20(27)14-8-18/h1-5,7-11,13-16,25-27H,6,12H2/b15-9+,16-10+
InChIKeyMOPFCAISNWDYRJ-KAVGSWPWSA-N
XLogP6.22
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-phenylethenyl]-1H-indole
CID 122628074
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
CID 122647787
2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
CID 122628095
2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole
CID 122628076
2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole
CID 122628108
3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one
CID 91989561
4-(2-phenylethenyl)phenol
CID 157400568
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
phenyl-[2-[(E)-2-phenylethenyl]-1H-indol-3-yl]methanone
CID 10314121
3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 162395799
2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole
CID 122628110

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol (CID 163781025) is 4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol is OC1=CC=C(/C=C/c2c(/C=C/c3ccc(O)cc3)[nH]c3ccccc23)CC1.
What is the InChIKey of 4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol?
The InChIKey is MOPFCAISNWDYRJ-KAVGSWPWSA-N. The full InChI is InChI=1S/C24H21NO2/c26-19-11-5-17(6-12-19)9-15-22-21-3-1-2-4-23(21)25-24(22)16-10-18-7-13-20(27)14-8-18/h1-5,7-11,13-16,25-27H,6,12H2/b15-9+,16-10+.
What are the key properties of 4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol?
4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol has a molecular weight of 355.44 g/mol, XLogP of 6.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol is sourced from PubChem (CID 163781025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).