3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol

C17H14N2O2 — CID 15949127

IUPAC3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(Cc3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C17H14N2O2/c20-12-1-3-16-14(6-12)10(8-18-16)5-11-9-19-17-4-2-13(21)7-15(11)17/h1-4,6-9,18-21H,5H2
InChIKeyUYGJUALVLBVXCF-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.65
Rot. Bonds2

About 3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol

3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol (PubChem CID 15949127) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
PubChem CID15949127
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(Cc3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C17H14N2O2/c20-12-1-3-16-14(6-12)10(8-18-16)5-11-9-19-17-4-2-13(21)7-15(11)17/h1-4,6-9,18-21H,5H2
InChIKeyUYGJUALVLBVXCF-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-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
3-propyl-1H-indol-5-ol
CID 15366338
3-prop-2-enyl-1H-indol-5-ol
CID 24746176
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol
CID 167475275
3-(2-iminoethyl)-1H-indol-5-ol
CID 54393064
3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 71317607
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide
CID 166672970

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol?
The IUPAC name of 3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol (CID 15949127) is 3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol?
The canonical SMILES for 3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(Cc3c[nH]c4ccc(O)cc34)c2c1.
What is the InChIKey of 3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol?
The InChIKey is UYGJUALVLBVXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-12-1-3-16-14(6-12)10(8-18-16)5-11-9-19-17-4-2-13(21)7-15(11)17/h1-4,6-9,18-21H,5H2.
What are the key properties of 3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol?
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-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-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol is sourced from PubChem (CID 15949127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).