ethenol;1-methyl-4-(2-methylpropyl)benzene

C13H20O — CID 163264631

IUPACethenol;1-methyl-4-(2-methylpropyl)benzene
SMILESC=CO.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H16.C2H4O/c1-9(2)8-11-6-4-10(3)5-7-11;1-2-3/h4-7,9H,8H2,1-3H3;2-3H,1H2
InChIKeyUZJFQATWPCWCOZ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.88
Rot. Bonds2

About ethenol;1-methyl-4-(2-methylpropyl)benzene

ethenol;1-methyl-4-(2-methylpropyl)benzene (PubChem CID 163264631) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethenol;1-methyl-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Nameethenol;1-methyl-4-(2-methylpropyl)benzene
PubChem CID163264631
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethenol;1-methyl-4-(2-methylpropyl)benzene
SMILESC=CO.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H16.C2H4O/c1-9(2)8-11-6-4-10(3)5-7-11;1-2-3/h4-7,9H,8H2,1-3H3;2-3H,1H2
InChIKeyUZJFQATWPCWCOZ-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
CID 159697261
1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 10176333
ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 144516269
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
formic acid;2-methylpropylbenzene
CID 162001374
(2S)-2-methyl-3-(4-methylphenyl)propanal
CID 12936019
2-[(4-methylphenyl)methyl]propanedial
CID 59310904
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
4-methyl-3-[(4-methylphenyl)methyl]pent-1-en-2-amine
CID 167120568
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225

Frequently Asked Questions

What is the IUPAC name of ethenol;1-methyl-4-(2-methylpropyl)benzene?
The IUPAC name of ethenol;1-methyl-4-(2-methylpropyl)benzene (CID 163264631) is ethenol;1-methyl-4-(2-methylpropyl)benzene.
What is the SMILES notation for ethenol;1-methyl-4-(2-methylpropyl)benzene?
The canonical SMILES for ethenol;1-methyl-4-(2-methylpropyl)benzene is C=CO.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of ethenol;1-methyl-4-(2-methylpropyl)benzene?
The InChIKey is UZJFQATWPCWCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C2H4O/c1-9(2)8-11-6-4-10(3)5-7-11;1-2-3/h4-7,9H,8H2,1-3H3;2-3H,1H2.
What are the key properties of ethenol;1-methyl-4-(2-methylpropyl)benzene?
ethenol;1-methyl-4-(2-methylpropyl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;1-methyl-4-(2-methylpropyl)benzene is sourced from PubChem (CID 163264631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).