propan-2-ol;toluene;1,2-xylene

C18H26O — CID 175542650

IUPACpropan-2-ol;toluene;1,2-xylene
SMILESCC(C)O.Cc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C8H10.C7H8.C3H8O/c1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;1-3(2)4/h3-6H,1-2H3;2-6H,1H3;3-4H,1-2H3
InChIKeyYSLAWTWBTFPBJE-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.69
Rot. Bonds

About propan-2-ol;toluene;1,2-xylene

propan-2-ol;toluene;1,2-xylene (PubChem CID 175542650) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is propan-2-ol;toluene;1,2-xylene.

Molecular Properties

Compound Namepropan-2-ol;toluene;1,2-xylene
PubChem CID175542650
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Namepropan-2-ol;toluene;1,2-xylene
SMILESCC(C)O.Cc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C8H10.C7H8.C3H8O/c1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;1-3(2)4/h3-6H,1-2H3;2-6H,1H3;3-4H,1-2H3
InChIKeyYSLAWTWBTFPBJE-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methylbut-3-en-2-ol;toluene
CID 91227774
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Frequently Asked Questions

What is the IUPAC name of propan-2-ol;toluene;1,2-xylene?
The IUPAC name of propan-2-ol;toluene;1,2-xylene (CID 175542650) is propan-2-ol;toluene;1,2-xylene.
What is the SMILES notation for propan-2-ol;toluene;1,2-xylene?
The canonical SMILES for propan-2-ol;toluene;1,2-xylene is CC(C)O.Cc1ccccc1.Cc1ccccc1C.
What is the InChIKey of propan-2-ol;toluene;1,2-xylene?
The InChIKey is YSLAWTWBTFPBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H8.C3H8O/c1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;1-3(2)4/h3-6H,1-2H3;2-6H,1H3;3-4H,1-2H3.
What are the key properties of propan-2-ol;toluene;1,2-xylene?
propan-2-ol;toluene;1,2-xylene has a molecular weight of 258.40 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;toluene;1,2-xylene is sourced from PubChem (CID 175542650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).