4-methylbenzoic acid;3-methylphenol

C15H16O3 — CID 159152247

IUPAC4-methylbenzoic acid;3-methylphenol
SMILESCc1ccc(C(=O)O)cc1.Cc1cccc(O)c1
InChIInChI=1S/C8H8O2.C7H8O/c1-6-2-4-7(5-3-6)8(9)10;1-6-3-2-4-7(8)5-6/h2-5H,1H3,(H,9,10);2-5,8H,1H3
InChIKeyKJLGSDBYILGKTM-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.39
Rot. Bonds1

About 4-methylbenzoic acid;3-methylphenol

4-methylbenzoic acid;3-methylphenol (PubChem CID 159152247) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-methylbenzoic acid;3-methylphenol.

Molecular Properties

Compound Name4-methylbenzoic acid;3-methylphenol
PubChem CID159152247
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-methylbenzoic acid;3-methylphenol
SMILESCc1ccc(C(=O)O)cc1.Cc1cccc(O)c1
InChIInChI=1S/C8H8O2.C7H8O/c1-6-2-4-7(5-3-6)8(9)10;1-6-3-2-4-7(8)5-6/h2-5H,1H3,(H,9,10);2-5,8H,1H3
InChIKeyKJLGSDBYILGKTM-UHFFFAOYSA-N
XLogP3.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene-1,3-diol;3-methylbenzoic acid
CID 174723405
3-methylphenol
CID 67925627
benzoic acid;4-methylbenzoic acid
CID 71272637
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
sodium 3-methylphenol
CID 21278687
sodium 4-methylbenzoic acid
CID 164511663
benzene-1,3-diol;benzoic acid
CID 53446063
3-methylbenzoic acid
CID 7418
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119
carbanide;3-methylphenol;yttrium
CID 161376652

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzoic acid;3-methylphenol?
The IUPAC name of 4-methylbenzoic acid;3-methylphenol (CID 159152247) is 4-methylbenzoic acid;3-methylphenol.
What is the SMILES notation for 4-methylbenzoic acid;3-methylphenol?
The canonical SMILES for 4-methylbenzoic acid;3-methylphenol is Cc1ccc(C(=O)O)cc1.Cc1cccc(O)c1.
What is the InChIKey of 4-methylbenzoic acid;3-methylphenol?
The InChIKey is KJLGSDBYILGKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C7H8O/c1-6-2-4-7(5-3-6)8(9)10;1-6-3-2-4-7(8)5-6/h2-5H,1H3,(H,9,10);2-5,8H,1H3.
What are the key properties of 4-methylbenzoic acid;3-methylphenol?
4-methylbenzoic acid;3-methylphenol has a molecular weight of 244.29 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzoic acid;3-methylphenol is sourced from PubChem (CID 159152247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).