1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol

C17H22O — CID 123650314

IUPAC1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol
SMILESCCO.Cc1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C15H16.C2H6O/c1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-2-3/h4-10H,1-3H3;3H,2H2,1H3
InChIKeyOHLKYAPNABPJNX-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.28
Rot. Bonds1

About 1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol

1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol (PubChem CID 123650314) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol
PubChem CID123650314
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol
SMILESCCO.Cc1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C15H16.C2H6O/c1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-2-3/h4-10H,1-3H3;3H,2H2,1H3
InChIKeyOHLKYAPNABPJNX-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
ethanol;methanol;1,4-xylene
CID 70196397
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170893059
3,6-bis(3,5-dimethylphenyl)phenanthrene
CID 91501927
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol?
The IUPAC name of 1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol (CID 123650314) is 1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol?
The canonical SMILES for 1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol is CCO.Cc1ccc(-c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol?
The InChIKey is OHLKYAPNABPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C2H6O/c1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-2-3/h4-10H,1-3H3;3H,2H2,1H3.
What are the key properties of 1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol?
1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol has a molecular weight of 242.36 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol is sourced from PubChem (CID 123650314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).