3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol

C17H14N2O2 — CID 11959861

IUPAC3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1Cc1c(O)[nH]c2ccccc12
InChIInChI=1S/C17H14N2O2/c20-16-12(10-5-1-3-7-14(10)18-16)9-13-11-6-2-4-8-15(11)19-17(13)21/h1-8,18-21H,9H2
InChIKeyLKCVYSXNFRSYNI-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.65
Rot. Bonds2

About 3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol

3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol (PubChem CID 11959861) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol
PubChem CID11959861
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1Cc1c(O)[nH]c2ccccc12
InChIInChI=1S/C17H14N2O2/c20-16-12(10-5-1-3-7-14(10)18-16)9-13-11-6-2-4-8-15(11)19-17(13)21/h1-8,18-21H,9H2
InChIKeyLKCVYSXNFRSYNI-UHFFFAOYSA-N
XLogP3.65
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

3-prop-2-enyl-1H-indol-2-ol
CID 141031189
3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid
CID 90973534
3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 135505751
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol
CID 86024266
4-[(2-methyl-1H-indol-3-yl)methyl]phenol
CID 21239687
CID 131863122
CID 131863122
9H-carbazole
CID 66668984
2-hydroxy-1H-indole-3-diazonium
CID 555023
3-(trifluoromethyl)-1H-indol-2-ol
CID 154142036
(2-benzyl-1H-indol-3-yl)methanol
CID 129187349
1-(2-hydroxy-1H-indol-3-yl)propan-1-one
CID 15650287

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol?
The IUPAC name of 3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol (CID 11959861) is 3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1Cc1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol?
The InChIKey is LKCVYSXNFRSYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16-12(10-5-1-3-7-14(10)18-16)9-13-11-6-2-4-8-15(11)19-17(13)21/h1-8,18-21H,9H2.
What are the key properties of 3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol?
3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol has a molecular weight of 278.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol is sourced from PubChem (CID 11959861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).