2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol

C14H13NO2 — CID 84691197

IUPAC2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
SMILESOc1ccc(C2Cc3cc(O)ccc3N2)cc1
InChIInChI=1S/C14H13NO2/c16-11-3-1-9(2-4-11)14-8-10-7-12(17)5-6-13(10)15-14/h1-7,14-17H,8H2
InChIKeyKOSHIUBYJJAOFS-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.81
Rot. Bonds1

About 2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol

2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol (PubChem CID 84691197) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
PubChem CID84691197
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
SMILESOc1ccc(C2Cc3cc(O)ccc3N2)cc1
InChIInChI=1S/C14H13NO2/c16-11-3-1-9(2-4-11)14-8-10-7-12(17)5-6-13(10)15-14/h1-7,14-17H,8H2
InChIKeyKOSHIUBYJJAOFS-UHFFFAOYSA-N
XLogP2.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-2,3-dihydro-1H-indol-5-ol
CID 84692622
(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
CID 7017020
2-(2-methoxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84702637
2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol
CID 84659924
5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399
5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 3520254
5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250
2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol
CID 102526168
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-5-ol
CID 19799155

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol (CID 84691197) is 2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol is Oc1ccc(C2Cc3cc(O)ccc3N2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol?
The InChIKey is KOSHIUBYJJAOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-11-3-1-9(2-4-11)14-8-10-7-12(17)5-6-13(10)15-14/h1-7,14-17H,8H2.
What are the key properties of 2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol?
2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol has a molecular weight of 227.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol is sourced from PubChem (CID 84691197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).