(1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol

C14H13NO2 — CID 101216885

IUPAC(1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol
SMILESO[C@@H]1C(c2cc3ccccc3[nH]2)=CC=C[C@@H]1O
InChIInChI=1S/C14H13NO2/c16-13-7-3-5-10(14(13)17)12-8-9-4-1-2-6-11(9)15-12/h1-8,13-17H/t13-,14+/m0/s1
InChIKeyQUSMFTINUIJGBN-UONOGXRCSA-N
MW227.26 g/mol
LogP1.84
Rot. Bonds1

About (1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol

(1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol (PubChem CID 101216885) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol
PubChem CID101216885
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol
SMILESO[C@@H]1C(c2cc3ccccc3[nH]2)=CC=C[C@@H]1O
InChIInChI=1S/C14H13NO2/c16-13-7-3-5-10(14(13)17)12-8-9-4-1-2-6-11(9)15-12/h1-8,13-17H/t13-,14+/m0/s1
InChIKeyQUSMFTINUIJGBN-UONOGXRCSA-N
XLogP1.84
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide
CID 146481056
2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole
CID 142743500
4-(1H-indol-2-yl)phenol
CID 11287260
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
CID 141030381
2-cyclohexa-1,3-dien-1-yl-1H-indole
CID 91429074
4H-cyclopenta[b]quinolin-1-ol
CID 154308878
4-(1H-indol-2-yl)-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 21217378
2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
CID 163366166
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
4-(1H-indol-2-yl)benzenethiol;methanol
CID 160504693
CID 87602032
CID 87602032

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of (1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol (CID 101216885) is (1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for (1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for (1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol is O[C@@H]1C(c2cc3ccccc3[nH]2)=CC=C[C@@H]1O.
What is the InChIKey of (1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol?
The InChIKey is QUSMFTINUIJGBN-UONOGXRCSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-7-3-5-10(14(13)17)12-8-9-4-1-2-6-11(9)15-12/h1-8,13-17H/t13-,14+/m0/s1.
What are the key properties of (1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol?
(1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol has a molecular weight of 227.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 101216885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).