3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol

C18H13NO2S — CID 71578645

IUPAC3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(Sc3c(O)ccc4ccccc34)c2c1
InChIInChI=1S/C18H13NO2S/c20-12-6-7-15-14(9-12)17(10-19-15)22-18-13-4-2-1-3-11(13)5-8-16(18)21/h1-10,19-21H
InChIKeyVQBRHVZWYDACQC-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.88
Rot. Bonds2

About 3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol

3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol (PubChem CID 71578645) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol.

Molecular Properties

Compound Name3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol
PubChem CID71578645
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(Sc3c(O)ccc4ccccc34)c2c1
InChIInChI=1S/C18H13NO2S/c20-12-6-7-15-14(9-12)17(10-19-15)22-18-13-4-2-1-3-11(13)5-8-16(18)21/h1-10,19-21H
InChIKeyVQBRHVZWYDACQC-UHFFFAOYSA-N
XLogP4.88
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol?
The IUPAC name of 3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol (CID 71578645) is 3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol.
What is the SMILES notation for 3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol?
The canonical SMILES for 3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol is Oc1ccc2[nH]cc(Sc3c(O)ccc4ccccc34)c2c1.
What is the InChIKey of 3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol?
The InChIKey is VQBRHVZWYDACQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c20-12-6-7-15-14(9-12)17(10-19-15)22-18-13-4-2-1-3-11(13)5-8-16(18)21/h1-10,19-21H.
What are the key properties of 3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol?
3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol has a molecular weight of 307.37 g/mol, XLogP of 4.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol is sourced from PubChem (CID 71578645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).