benzoic acid;methanol

C8H10O3 — CID 67901482

IUPACbenzoic acid;methanol
SMILESCO.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.CH4O/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H,8,9);2H,1H3
InChIKeyHUEJLTLLAWSGRU-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.99
Rot. Bonds1

About benzoic acid;methanol

benzoic acid;methanol (PubChem CID 67901482) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is benzoic acid;methanol.

Molecular Properties

Compound Namebenzoic acid;methanol
PubChem CID67901482
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namebenzoic acid;methanol
SMILESCO.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.CH4O/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H,8,9);2H,1H3
InChIKeyHUEJLTLLAWSGRU-UHFFFAOYSA-N
XLogP0.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;methanol?
The IUPAC name of benzoic acid;methanol (CID 67901482) is benzoic acid;methanol.
What is the SMILES notation for benzoic acid;methanol?
The canonical SMILES for benzoic acid;methanol is CO.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;methanol?
The InChIKey is HUEJLTLLAWSGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.CH4O/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H,8,9);2H,1H3.
What are the key properties of benzoic acid;methanol?
benzoic acid;methanol has a molecular weight of 154.16 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;methanol is sourced from PubChem (CID 67901482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).