anisole;2-methylphenol

C14H16O2 — CID 159950071

IUPACanisole;2-methylphenol
SMILESCOc1ccccc1.Cc1ccccc1O
InChIInChI=1S/2C7H8O/c1-8-7-5-3-2-4-6-7;1-6-4-2-3-5-7(6)8/h2-6H,1H3;2-5,8H,1H3
InChIKeyOBZLBCWOJDSMRT-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.40
Rot. Bonds1

About anisole;2-methylphenol

anisole;2-methylphenol (PubChem CID 159950071) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is anisole;2-methylphenol.

Molecular Properties

Compound Nameanisole;2-methylphenol
PubChem CID159950071
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameanisole;2-methylphenol
SMILESCOc1ccccc1.Cc1ccccc1O
InChIInChI=1S/2C7H8O/c1-8-7-5-3-2-4-6-7;1-6-4-2-3-5-7(6)8/h2-6H,1H3;2-5,8H,1H3
InChIKeyOBZLBCWOJDSMRT-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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zinc 2-methylphenol
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anisole;carbanide;ethane;methoxymethane;yttrium
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acetylene;anisole
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hydrazine;2-methylphenol
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CID 19359053
anisole;ethane;iodomethane;phenol
CID 143200210

Frequently Asked Questions

What is the IUPAC name of anisole;2-methylphenol?
The IUPAC name of anisole;2-methylphenol (CID 159950071) is anisole;2-methylphenol.
What is the SMILES notation for anisole;2-methylphenol?
The canonical SMILES for anisole;2-methylphenol is COc1ccccc1.Cc1ccccc1O.
What is the InChIKey of anisole;2-methylphenol?
The InChIKey is OBZLBCWOJDSMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O/c1-8-7-5-3-2-4-6-7;1-6-4-2-3-5-7(6)8/h2-6H,1H3;2-5,8H,1H3.
What are the key properties of anisole;2-methylphenol?
anisole;2-methylphenol has a molecular weight of 216.28 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;2-methylphenol is sourced from PubChem (CID 159950071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).