2,4-dichloronaphthalen-1-ol

C10H6Cl2O — CID 16313

IUPAC2,4-dichloronaphthalen-1-ol
SMILESOc1c(Cl)cc(Cl)c2ccccc12
InChIInChI=1S/C10H6Cl2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H
InChIKeyHVLJEMXDXOTWLV-UHFFFAOYSA-N
MW213.06 g/mol
LogP3.85
Rot. Bonds

About 2,4-dichloronaphthalen-1-ol

2,4-dichloronaphthalen-1-ol (PubChem CID 16313) has the molecular formula C10H6Cl2O and a molecular weight of 213.06 g/mol. Its IUPAC name is 2,4-dichloronaphthalen-1-ol.

Molecular Properties

Compound Name2,4-dichloronaphthalen-1-ol
PubChem CID16313
Molecular FormulaC10H6Cl2O
Molecular Weight213.06 g/mol
Exact Mass211.98
IUPAC Name2,4-dichloronaphthalen-1-ol
SMILESOc1c(Cl)cc(Cl)c2ccccc12
InChIInChI=1S/C10H6Cl2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H
InChIKeyHVLJEMXDXOTWLV-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloronaphthalen-1-ol?
The IUPAC name of 2,4-dichloronaphthalen-1-ol (CID 16313) is 2,4-dichloronaphthalen-1-ol.
What is the SMILES notation for 2,4-dichloronaphthalen-1-ol?
The canonical SMILES for 2,4-dichloronaphthalen-1-ol is Oc1c(Cl)cc(Cl)c2ccccc12.
What is the InChIKey of 2,4-dichloronaphthalen-1-ol?
The InChIKey is HVLJEMXDXOTWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H.
What are the key properties of 2,4-dichloronaphthalen-1-ol?
2,4-dichloronaphthalen-1-ol has a molecular weight of 213.06 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloronaphthalen-1-ol is sourced from PubChem (CID 16313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).