anisole;hydrochloride

C14H17ClO2 — CID 158800007

IUPACanisole;hydrochloride
SMILESCOc1ccccc1.COc1ccccc1.Cl
InChIInChI=1S/2C7H8O.ClH/c2*1-8-7-5-3-2-4-6-7;/h2*2-6H,1H3;1H
InChIKeyITJBFERTVKTDLC-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.81
Rot. Bonds2

About anisole;hydrochloride

anisole;hydrochloride (PubChem CID 158800007) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is anisole;hydrochloride.

Molecular Properties

Compound Nameanisole;hydrochloride
PubChem CID158800007
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Nameanisole;hydrochloride
SMILESCOc1ccccc1.COc1ccccc1.Cl
InChIInChI=1S/2C7H8O.ClH/c2*1-8-7-5-3-2-4-6-7;/h2*2-6H,1H3;1H
InChIKeyITJBFERTVKTDLC-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142274985
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Frequently Asked Questions

What is the IUPAC name of anisole;hydrochloride?
The IUPAC name of anisole;hydrochloride (CID 158800007) is anisole;hydrochloride.
What is the SMILES notation for anisole;hydrochloride?
The canonical SMILES for anisole;hydrochloride is COc1ccccc1.COc1ccccc1.Cl.
What is the InChIKey of anisole;hydrochloride?
The InChIKey is ITJBFERTVKTDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O.ClH/c2*1-8-7-5-3-2-4-6-7;/h2*2-6H,1H3;1H.
What are the key properties of anisole;hydrochloride?
anisole;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;hydrochloride is sourced from PubChem (CID 158800007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).