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

C16H15Cl2NO — CID 107682645

IUPAC1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc(Cl)c(NC2CCc3cc(O)ccc32)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-9-6-14(18)16(8-13(9)17)19-15-5-2-10-7-11(20)3-4-12(10)15/h3-4,6-8,15,19-20H,2,5H2,1H3
InChIKeyQNSQWKYVNPMGAD-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.11
Rot. Bonds2

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

1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682645) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682645
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc(Cl)c(NC2CCc3cc(O)ccc32)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-9-6-14(18)16(8-13(9)17)19-15-5-2-10-7-11(20)3-4-12(10)15/h3-4,6-8,15,19-20H,2,5H2,1H3
InChIKeyQNSQWKYVNPMGAD-UHFFFAOYSA-N
XLogP5.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531137
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682735
1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682184
1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682196
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700
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
4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
CID 107682000
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol (CID 107682645) is 1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol is Cc1cc(Cl)c(NC2CCc3cc(O)ccc32)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is QNSQWKYVNPMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-9-6-14(18)16(8-13(9)17)19-15-5-2-10-7-11(20)3-4-12(10)15/h3-4,6-8,15,19-20H,2,5H2,1H3.
What are the key properties of 1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol?
1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 308.21 g/mol, XLogP of 5.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).