1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol

C26H17Cl5O3 — CID 161098712

IUPAC1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol
SMILESOc1cc(Cl)c(Cl)c(Cl)c1Cl.Oc1ccc2ccccc2c1.Oc1ccc2ccccc2c1Cl
InChIInChI=1S/C10H7ClO.C10H8O.C6H2Cl4O/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;11-10-6-5-8-3-1-2-4-9(8)7-10;7-2-1-3(11)5(9)6(10)4(2)8/h1-6,12H;1-7,11H;1,11H
InChIKeyUIDIBNJPWKULDW-UHFFFAOYSA-N
MW554.68 g/mol
LogP9.75
Rot. Bonds

About 1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol

1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol (PubChem CID 161098712) has the molecular formula C26H17Cl5O3 and a molecular weight of 554.68 g/mol. Its IUPAC name is 1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol.

Molecular Properties

Compound Name1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol
PubChem CID161098712
Molecular FormulaC26H17Cl5O3
Molecular Weight554.68 g/mol
Exact Mass551.96
IUPAC Name1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol
SMILESOc1cc(Cl)c(Cl)c(Cl)c1Cl.Oc1ccc2ccccc2c1.Oc1ccc2ccccc2c1Cl
InChIInChI=1S/C10H7ClO.C10H8O.C6H2Cl4O/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;11-10-6-5-8-3-1-2-4-9(8)7-10;7-2-1-3(11)5(9)6(10)4(2)8/h1-6,12H;1-7,11H;1,11H
InChIKeyUIDIBNJPWKULDW-UHFFFAOYSA-N
XLogP9.75
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.68
LogP ≤ 59.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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naphthalen-2-ol
CID 71750931
bis(naphthalene-2,7-diol);naphthalen-1-ol
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CID 69280188
CID 69280188
2,3-dichlorophenol;2,3,4,5-tetrachlorophenol
CID 166770259
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CID 158113674
1,4-dichloronaphthalen-2-ol
CID 12578005
ethane;naphthalen-2-ol
CID 91107047
phenanthren-3-ol
CID 73057263
1-chloro-8-deuterionaphthalen-2-ol
CID 175777317
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156

Frequently Asked Questions

What is the IUPAC name of 1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol?
The IUPAC name of 1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol (CID 161098712) is 1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol.
What is the SMILES notation for 1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol?
The canonical SMILES for 1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol is Oc1cc(Cl)c(Cl)c(Cl)c1Cl.Oc1ccc2ccccc2c1.Oc1ccc2ccccc2c1Cl.
What is the InChIKey of 1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol?
The InChIKey is UIDIBNJPWKULDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO.C10H8O.C6H2Cl4O/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;11-10-6-5-8-3-1-2-4-9(8)7-10;7-2-1-3(11)5(9)6(10)4(2)8/h1-6,12H;1-7,11H;1,11H.
What are the key properties of 1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol?
1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol has a molecular weight of 554.68 g/mol, XLogP of 9.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol is sourced from PubChem (CID 161098712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).