[1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol

C21H19NO — CID 175201094

IUPAC[1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1(c2cc3ccccc3[nH]2)CC=CC=C1c1ccccc1
InChIInChI=1S/C21H19NO/c23-15-21(20-14-17-10-4-5-12-19(17)22-20)13-7-6-11-18(21)16-8-2-1-3-9-16/h1-12,14,22-23H,13,15H2
InChIKeyMWZUSYQXUJLKHQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.44
Rot. Bonds3

About [1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol

[1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol (PubChem CID 175201094) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is [1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol
PubChem CID175201094
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name[1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1(c2cc3ccccc3[nH]2)CC=CC=C1c1ccccc1
InChIInChI=1S/C21H19NO/c23-15-21(20-14-17-10-4-5-12-19(17)22-20)13-7-6-11-18(21)16-8-2-1-3-9-16/h1-12,14,22-23H,13,15H2
InChIKeyMWZUSYQXUJLKHQ-UHFFFAOYSA-N
XLogP4.44
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-2-yl)cyclobutan-1-amine
CID 82602362
3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol
CID 141425095
2-(1-methylcycloheptyl)-1H-indole
CID 173176974
(2R,3R,4R,5R,6S)-6-(hydroxymethyl)-4-(1H-indol-2-yl)-6-iodooxane-2,3,4,5-tetrol
CID 174652789
2-cyclohexa-1,3-dien-1-yl-1H-indole
CID 91429074
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol
CID 70460334
2-(2,6-diphenylphenyl)-1H-indole
CID 135023242
(2S,3R,4S,5S,6R)-2-chloro-6-(hydroxymethyl)-4-(1H-indol-2-yl)oxane-2,3,4,5-tetrol
CID 151539726
18-[1-(17-carboxyheptadec-9-enyl)-2-phenylcyclohexa-2,4-dien-1-yl]octadec-9-enoic acid
CID 159635188
[4-(1H-indol-2-yl)-2-phenyl-1H-imidazol-5-yl]methanol
CID 151497251
3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole
CID 23325475
1H-indol-2-ylmethylcarbamic acid
CID 68691362

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol (CID 175201094) is [1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol is OCC1(c2cc3ccccc3[nH]2)CC=CC=C1c1ccccc1.
What is the InChIKey of [1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is MWZUSYQXUJLKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c23-15-21(20-14-17-10-4-5-12-19(17)22-20)13-7-6-11-18(21)16-8-2-1-3-9-16/h1-12,14,22-23H,13,15H2.
What are the key properties of [1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol?
[1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 301.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 175201094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).