4-chloronaphthalen-1-ol

C10H7ClO — CID 11787

IUPAC4-chloronaphthalen-1-ol
SMILESOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
InChIKeyLVSPDZAGCBEQAV-UHFFFAOYSA-N
MW178.62 g/mol
LogP3.20
Rot. Bonds

About 4-chloronaphthalen-1-ol

4-chloronaphthalen-1-ol (PubChem CID 11787) has the molecular formula C10H7ClO and a molecular weight of 178.62 g/mol. Its IUPAC name is 4-chloronaphthalen-1-ol.

Molecular Properties

Compound Name4-chloronaphthalen-1-ol
PubChem CID11787
Molecular FormulaC10H7ClO
Molecular Weight178.62 g/mol
Exact Mass178.02
IUPAC Name4-chloronaphthalen-1-ol
SMILESOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
InChIKeyLVSPDZAGCBEQAV-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloronaphthalen-1-ol?
The IUPAC name of 4-chloronaphthalen-1-ol (CID 11787) is 4-chloronaphthalen-1-ol.
What is the SMILES notation for 4-chloronaphthalen-1-ol?
The canonical SMILES for 4-chloronaphthalen-1-ol is Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-chloronaphthalen-1-ol?
The InChIKey is LVSPDZAGCBEQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H.
What are the key properties of 4-chloronaphthalen-1-ol?
4-chloronaphthalen-1-ol has a molecular weight of 178.62 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloronaphthalen-1-ol is sourced from PubChem (CID 11787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).