benzoic acid;2-methylphenol

C14H14O3 — CID 163780186

IUPACbenzoic acid;2-methylphenol
SMILESCc1ccccc1O.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C7H8O/c8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-7(6)8/h1-5H,(H,8,9);2-5,8H,1H3
InChIKeyMNXWUUPDDIKLTR-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.09
Rot. Bonds1

About benzoic acid;2-methylphenol

benzoic acid;2-methylphenol (PubChem CID 163780186) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is benzoic acid;2-methylphenol.

Molecular Properties

Compound Namebenzoic acid;2-methylphenol
PubChem CID163780186
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Namebenzoic acid;2-methylphenol
SMILESCc1ccccc1O.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C7H8O/c8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-7(6)8/h1-5H,(H,8,9);2-5,8H,1H3
InChIKeyMNXWUUPDDIKLTR-UHFFFAOYSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67901482
benzoic acid;methanamine
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zinc 2-methylphenol
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benzoic acid;zirconium
CID 173089080
CID 87090637
CID 87090637
CID 87293530
CID 87293530
ethane;2-methylphenol
CID 54326461
cyclodecapentaenecarboxylic acid;methane
CID 162272407
benzoic acid;chromium
CID 139063467
benzoic acid;trihydrate
CID 157398339
Lithium benzoate, 99%
CID 57451198

Frequently Asked Questions

What is the IUPAC name of benzoic acid;2-methylphenol?
The IUPAC name of benzoic acid;2-methylphenol (CID 163780186) is benzoic acid;2-methylphenol.
What is the SMILES notation for benzoic acid;2-methylphenol?
The canonical SMILES for benzoic acid;2-methylphenol is Cc1ccccc1O.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;2-methylphenol?
The InChIKey is MNXWUUPDDIKLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C7H8O/c8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-7(6)8/h1-5H,(H,8,9);2-5,8H,1H3.
What are the key properties of benzoic acid;2-methylphenol?
benzoic acid;2-methylphenol has a molecular weight of 230.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2-methylphenol is sourced from PubChem (CID 163780186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).