1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol

C20H26O — CID 169131564

IUPAC1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol
SMILESC=C(C)CO.Cc1ccccc1CCc1ccccc1C
InChIInChI=1S/C16H18.C4H8O/c1-13-7-3-5-9-15(13)11-12-16-10-6-4-8-14(16)2;1-4(2)3-5/h3-10H,11-12H2,1-2H3;5H,1,3H2,2H3
InChIKeySHCAHVFCEUUKGM-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.64
Rot. Bonds4

About 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol

1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol (PubChem CID 169131564) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol
PubChem CID169131564
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol
SMILESC=C(C)CO.Cc1ccccc1CCc1ccccc1C
InChIInChI=1S/C16H18.C4H8O/c1-13-7-3-5-9-15(13)11-12-16-10-6-4-8-14(16)2;1-4(2)3-5/h3-10H,11-12H2,1-2H3;5H,1,3H2,2H3
InChIKeySHCAHVFCEUUKGM-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-methylphenyl)ethyl]phenyl]ethanol
CID 44723654
1-(3-bromobut-3-enyl)-2-methylbenzene
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ethanol;2-(2-methylphenyl)ethanol
CID 69408748
1-(3,6-dimethylhept-6-enyl)-2-methylbenzene
CID 176975448
CID 57429570
CID 57429570
chloroform;2-(2-methylphenyl)ethanol
CID 68926647
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
5-methyl-1-(2-methylphenyl)hex-5-en-2-one
CID 114473510
CID 140700178
CID 140700178
3-(2-methylphenyl)propane-1,1,1-triol
CID 141357716
1-methyl-2-(2-methylidenebutyl)benzene
CID 123760109

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol?
The IUPAC name of 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol (CID 169131564) is 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol?
The canonical SMILES for 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol is C=C(C)CO.Cc1ccccc1CCc1ccccc1C.
What is the InChIKey of 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol?
The InChIKey is SHCAHVFCEUUKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C4H8O/c1-13-7-3-5-9-15(13)11-12-16-10-6-4-8-14(16)2;1-4(2)3-5/h3-10H,11-12H2,1-2H3;5H,1,3H2,2H3.
What are the key properties of 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol?
1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol has a molecular weight of 282.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol is sourced from PubChem (CID 169131564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).