(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene

C33H40F2O — CID 158726026

IUPAC(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
SMILESCc1ccc(C)c(CO)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1
InChIInChI=1S/C9H12O.2C8H9F.C8H10/c1-7-3-4-8(2)9(5-7)6-10;2*1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7/h3-5,10H,6H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3
InChIKeyIKMYEWPYRYEBES-UHFFFAOYSA-N
MW490.68 g/mol
LogP8.98
Rot. Bonds1

About (2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene

(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene (PubChem CID 158726026) has the molecular formula C33H40F2O and a molecular weight of 490.68 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
PubChem CID158726026
Molecular FormulaC33H40F2O
Molecular Weight490.68 g/mol
Exact Mass490.30
IUPAC Name(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
SMILESCc1ccc(C)c(CO)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1
InChIInChI=1S/C9H12O.2C8H9F.C8H10/c1-7-3-4-8(2)9(5-7)6-10;2*1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7/h3-5,10H,6H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3
InChIKeyIKMYEWPYRYEBES-UHFFFAOYSA-N
XLogP8.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.68
LogP ≤ 58.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
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2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
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ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
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1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
2-[2-chloro-2-(3-fluoro-4-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 55224644
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol
CID 145318169
2-fluoro-1,4-dimethylbenzene;bis(nonane)
CID 143987706
ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene?
The IUPAC name of (2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene (CID 158726026) is (2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene.
What is the SMILES notation for (2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene?
The canonical SMILES for (2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene is Cc1ccc(C)c(CO)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.
What is the InChIKey of (2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene?
The InChIKey is IKMYEWPYRYEBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.2C8H9F.C8H10/c1-7-3-4-8(2)9(5-7)6-10;2*1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7/h3-5,10H,6H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of (2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene?
(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene has a molecular weight of 490.68 g/mol, XLogP of 8.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene is sourced from PubChem (CID 158726026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).