4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol

C18H18N4O — CID 166371809

IUPAC4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol
SMILESOc1ccc(CCn2cc(-c3ccc4c(c3)CCN4)nn2)cc1
InChIInChI=1S/C18H18N4O/c23-16-4-1-13(2-5-16)8-10-22-12-18(20-21-22)14-3-6-17-15(11-14)7-9-19-17/h1-6,11-12,19,23H,7-10H2
InChIKeyMNCQHCRLKXQDRH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.86
Rot. Bonds4

About 4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol

4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol (PubChem CID 166371809) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol
PubChem CID166371809
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol
SMILESOc1ccc(CCn2cc(-c3ccc4c(c3)CCN4)nn2)cc1
InChIInChI=1S/C18H18N4O/c23-16-4-1-13(2-5-16)8-10-22-12-18(20-21-22)14-3-6-17-15(11-14)7-9-19-17/h1-6,11-12,19,23H,7-10H2
InChIKeyMNCQHCRLKXQDRH-UHFFFAOYSA-N
XLogP2.86
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol?
The IUPAC name of 4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol (CID 166371809) is 4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol is Oc1ccc(CCn2cc(-c3ccc4c(c3)CCN4)nn2)cc1.
What is the InChIKey of 4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol?
The InChIKey is MNCQHCRLKXQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-16-4-1-13(2-5-16)8-10-22-12-18(20-21-22)14-3-6-17-15(11-14)7-9-19-17/h1-6,11-12,19,23H,7-10H2.
What are the key properties of 4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol?
4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol has a molecular weight of 306.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,3-dihydro-1H-indol-5-yl)triazol-1-yl]ethyl]phenol is sourced from PubChem (CID 166371809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).