1-methyl-4-(2-methylprop-2-enoxymethyl)benzene

C12H16O — CID 10702431

IUPAC1-methyl-4-(2-methylprop-2-enoxymethyl)benzene
SMILESC=C(C)COCc1ccc(C)cc1
InChIInChI=1S/C12H16O/c1-10(2)8-13-9-12-6-4-11(3)5-7-12/h4-7H,1,8-9H2,2-3H3
InChIKeyGETXASUEGGPJPL-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.09
Rot. Bonds4

About 1-methyl-4-(2-methylprop-2-enoxymethyl)benzene

1-methyl-4-(2-methylprop-2-enoxymethyl)benzene (PubChem CID 10702431) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methyl-4-(2-methylprop-2-enoxymethyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-methylprop-2-enoxymethyl)benzene
PubChem CID10702431
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-methyl-4-(2-methylprop-2-enoxymethyl)benzene
SMILESC=C(C)COCc1ccc(C)cc1
InChIInChI=1S/C12H16O/c1-10(2)8-13-9-12-6-4-11(3)5-7-12/h4-7H,1,8-9H2,2-3H3
InChIKeyGETXASUEGGPJPL-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyl acetate
CID 8785
Styrene Oxide
CID 7276
4-Methylbenzyl alcohol
CID 11505
Dibenzyl ether
CID 7657
Benzyl formate
CID 7708
Benzyl butyrate
CID 7650
(S)-styrene oxide
CID 114946
Benzaldehyde dimethyl acetal
CID 62375
Benzyl isobutyrate
CID 7646
Benzyl isovalerate
CID 7651
Benzyl hexanoate
CID 23367
Benzyl propionate
CID 31219

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylprop-2-enoxymethyl)benzene?
The IUPAC name of 1-methyl-4-(2-methylprop-2-enoxymethyl)benzene (CID 10702431) is 1-methyl-4-(2-methylprop-2-enoxymethyl)benzene.
What is the SMILES notation for 1-methyl-4-(2-methylprop-2-enoxymethyl)benzene?
The canonical SMILES for 1-methyl-4-(2-methylprop-2-enoxymethyl)benzene is C=C(C)COCc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(2-methylprop-2-enoxymethyl)benzene?
The InChIKey is GETXASUEGGPJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-10(2)8-13-9-12-6-4-11(3)5-7-12/h4-7H,1,8-9H2,2-3H3.
What are the key properties of 1-methyl-4-(2-methylprop-2-enoxymethyl)benzene?
1-methyl-4-(2-methylprop-2-enoxymethyl)benzene has a molecular weight of 176.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylprop-2-enoxymethyl)benzene is sourced from PubChem (CID 10702431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).