1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol

C16H17NO2 — CID 107682398

IUPAC1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc(O)ccc1NC1CCc2cc(O)ccc21
InChIInChI=1S/C16H17NO2/c1-10-8-12(18)4-7-15(10)17-16-6-2-11-9-13(19)3-5-14(11)16/h3-5,7-9,16-19H,2,6H2,1H3
InChIKeyHPVYKURCIRKIMK-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds2

About 1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol

1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682398) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682398
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc(O)ccc1NC1CCc2cc(O)ccc21
InChIInChI=1S/C16H17NO2/c1-10-8-12(18)4-7-15(10)17-16-6-2-11-9-13(19)3-5-14(11)16/h3-5,7-9,16-19H,2,6H2,1H3
InChIKeyHPVYKURCIRKIMK-UHFFFAOYSA-N
XLogP3.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.51
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

1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682735
1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682196
1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682645
1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682184
1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682773
1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682192
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-[(3-methylcyclobutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682661
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682189

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol (CID 107682398) is 1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol is Cc1cc(O)ccc1NC1CCc2cc(O)ccc21.
What is the InChIKey of 1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is HPVYKURCIRKIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-8-12(18)4-7-15(10)17-16-6-2-11-9-13(19)3-5-14(11)16/h3-5,7-9,16-19H,2,6H2,1H3.
What are the key properties of 1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol?
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 255.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).