5-chloro-4-methylnaphthalen-2-ol;ethane

C13H15ClO — CID 162765839

IUPAC5-chloro-4-methylnaphthalen-2-ol;ethane
SMILESCC.Cc1cc(O)cc2cccc(Cl)c12
InChIInChI=1S/C11H9ClO.C2H6/c1-7-5-9(13)6-8-3-2-4-10(12)11(7)8;1-2/h2-6,13H,1H3;1-2H3
InChIKeyRYWBPQNJMOKLOR-UHFFFAOYSA-N
MW222.71 g/mol
LogP4.53
Rot. Bonds

About 5-chloro-4-methylnaphthalen-2-ol;ethane

5-chloro-4-methylnaphthalen-2-ol;ethane (PubChem CID 162765839) has the molecular formula C13H15ClO and a molecular weight of 222.71 g/mol. Its IUPAC name is 5-chloro-4-methylnaphthalen-2-ol;ethane.

Molecular Properties

Compound Name5-chloro-4-methylnaphthalen-2-ol;ethane
PubChem CID162765839
Molecular FormulaC13H15ClO
Molecular Weight222.71 g/mol
Exact Mass222.08
IUPAC Name5-chloro-4-methylnaphthalen-2-ol;ethane
SMILESCC.Cc1cc(O)cc2cccc(Cl)c12
InChIInChI=1S/C11H9ClO.C2H6/c1-7-5-9(13)6-8-3-2-4-10(12)11(7)8;1-2/h2-6,13H,1H3;1-2H3
InChIKeyRYWBPQNJMOKLOR-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.71
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methylnaphthalen-2-ol;ethane?
The IUPAC name of 5-chloro-4-methylnaphthalen-2-ol;ethane (CID 162765839) is 5-chloro-4-methylnaphthalen-2-ol;ethane.
What is the SMILES notation for 5-chloro-4-methylnaphthalen-2-ol;ethane?
The canonical SMILES for 5-chloro-4-methylnaphthalen-2-ol;ethane is CC.Cc1cc(O)cc2cccc(Cl)c12.
What is the InChIKey of 5-chloro-4-methylnaphthalen-2-ol;ethane?
The InChIKey is RYWBPQNJMOKLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO.C2H6/c1-7-5-9(13)6-8-3-2-4-10(12)11(7)8;1-2/h2-6,13H,1H3;1-2H3.
What are the key properties of 5-chloro-4-methylnaphthalen-2-ol;ethane?
5-chloro-4-methylnaphthalen-2-ol;ethane has a molecular weight of 222.71 g/mol, XLogP of 4.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methylnaphthalen-2-ol;ethane is sourced from PubChem (CID 162765839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).