2-methylphenol;2H-tetrazole

C8H10N4O — CID 175440048

IUPAC2-methylphenol;2H-tetrazole
SMILESCc1ccccc1O.c1nn[nH]n1
InChIInChI=1S/C7H8O.CH2N4/c1-6-4-2-3-5-7(6)8;1-2-4-5-3-1/h2-5,8H,1H3;1H,(H,2,3,4,5)
InChIKeyKKFNCLHEULJVKV-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.90
Rot. Bonds

About 2-methylphenol;2H-tetrazole

2-methylphenol;2H-tetrazole (PubChem CID 175440048) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is 2-methylphenol;2H-tetrazole.

Molecular Properties

Compound Name2-methylphenol;2H-tetrazole
PubChem CID175440048
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name2-methylphenol;2H-tetrazole
SMILESCc1ccccc1O.c1nn[nH]n1
InChIInChI=1S/C7H8O.CH2N4/c1-6-4-2-3-5-7(6)8;1-2-4-5-3-1/h2-5,8H,1H3;1H,(H,2,3,4,5)
InChIKeyKKFNCLHEULJVKV-UHFFFAOYSA-N
XLogP0.90
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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zinc 2-methylphenol
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2H-tetrazole;hydrochloride
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CID 174343673
CID 174343673
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cyclohexane;2-methylphenol
CID 70504255
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Frequently Asked Questions

What is the IUPAC name of 2-methylphenol;2H-tetrazole?
The IUPAC name of 2-methylphenol;2H-tetrazole (CID 175440048) is 2-methylphenol;2H-tetrazole.
What is the SMILES notation for 2-methylphenol;2H-tetrazole?
The canonical SMILES for 2-methylphenol;2H-tetrazole is Cc1ccccc1O.c1nn[nH]n1.
What is the InChIKey of 2-methylphenol;2H-tetrazole?
The InChIKey is KKFNCLHEULJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.CH2N4/c1-6-4-2-3-5-7(6)8;1-2-4-5-3-1/h2-5,8H,1H3;1H,(H,2,3,4,5).
What are the key properties of 2-methylphenol;2H-tetrazole?
2-methylphenol;2H-tetrazole has a molecular weight of 178.20 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphenol;2H-tetrazole is sourced from PubChem (CID 175440048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).