2-methylbenzoic acid;propan-2-one;1,2-xylene

C19H24O3 — CID 68779004

IUPAC2-methylbenzoic acid;propan-2-one;1,2-xylene
SMILESCC(C)=O.Cc1ccccc1C.Cc1ccccc1C(=O)O
InChIInChI=1S/C8H8O2.C8H10.C3H6O/c1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)2;1-3(2)4/h2-5H,1H3,(H,9,10);3-6H,1-2H3;1-2H3
InChIKeyJKXJCEXKBKHMBP-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.59
Rot. Bonds1

About 2-methylbenzoic acid;propan-2-one;1,2-xylene

2-methylbenzoic acid;propan-2-one;1,2-xylene (PubChem CID 68779004) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methylbenzoic acid;propan-2-one;1,2-xylene.

Molecular Properties

Compound Name2-methylbenzoic acid;propan-2-one;1,2-xylene
PubChem CID68779004
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name2-methylbenzoic acid;propan-2-one;1,2-xylene
SMILESCC(C)=O.Cc1ccccc1C.Cc1ccccc1C(=O)O
InChIInChI=1S/C8H8O2.C8H10.C3H6O/c1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)2;1-3(2)4/h2-5H,1H3,(H,9,10);3-6H,1-2H3;1-2H3
InChIKeyJKXJCEXKBKHMBP-UHFFFAOYSA-N
XLogP4.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-methylphenyl)ethanone;1-phenylethanone
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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzoic acid;propan-2-one;1,2-xylene?
The IUPAC name of 2-methylbenzoic acid;propan-2-one;1,2-xylene (CID 68779004) is 2-methylbenzoic acid;propan-2-one;1,2-xylene.
What is the SMILES notation for 2-methylbenzoic acid;propan-2-one;1,2-xylene?
The canonical SMILES for 2-methylbenzoic acid;propan-2-one;1,2-xylene is CC(C)=O.Cc1ccccc1C.Cc1ccccc1C(=O)O.
What is the InChIKey of 2-methylbenzoic acid;propan-2-one;1,2-xylene?
The InChIKey is JKXJCEXKBKHMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C8H10.C3H6O/c1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)2;1-3(2)4/h2-5H,1H3,(H,9,10);3-6H,1-2H3;1-2H3.
What are the key properties of 2-methylbenzoic acid;propan-2-one;1,2-xylene?
2-methylbenzoic acid;propan-2-one;1,2-xylene has a molecular weight of 300.40 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzoic acid;propan-2-one;1,2-xylene is sourced from PubChem (CID 68779004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).