5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol

C16H16ClNO2 — CID 107678368

IUPAC5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCCC2Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C16H16ClNO2/c17-14-9-11(4-7-16(14)20)18-15-3-1-2-10-8-12(19)5-6-13(10)15/h4-9,15,18-20H,1-3H2
InChIKeyWXGBOVOJQADHAU-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.24
Rot. Bonds2

About 5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol

5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 107678368) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID107678368
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCCC2Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C16H16ClNO2/c17-14-9-11(4-7-16(14)20)18-15-3-1-2-10-8-12(19)5-6-13(10)15/h4-9,15,18-20H,1-3H2
InChIKeyWXGBOVOJQADHAU-UHFFFAOYSA-N
XLogP4.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.24
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-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol
CID 107678292
5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 107588220
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 107632388
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43119146
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 107682006
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 107681837
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
CID 63451260

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 107678368) is 5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CCCC2Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is WXGBOVOJQADHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-9-11(4-7-16(14)20)18-15-3-1-2-10-8-12(19)5-6-13(10)15/h4-9,15,18-20H,1-3H2.
What are the key properties of 5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 289.76 g/mol, XLogP of 4.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 107678368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).